tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate

C16H31N5O5 — CID 131713868

IUPACtert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C16H31N5O5/c1-9(2)8-10(17)13(23)19-11(6-7-12(18)22)14(24)20-21-15(25)26-16(3,4)5/h9-11H,6-8,17H2,1-5H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)/t10-,11-/m0/s1
InChIKeyZFGWCCRWWLZEEN-QWRGUYRKSA-N
MW373.45 g/mol
LogP-0.33
Rot. Bonds8

About tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate

tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate (PubChem CID 131713868) has the molecular formula C16H31N5O5 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate
PubChem CID131713868
Molecular FormulaC16H31N5O5
Molecular Weight373.45 g/mol
Exact Mass373.23
IUPAC Nametert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C16H31N5O5/c1-9(2)8-10(17)13(23)19-11(6-7-12(18)22)14(24)20-21-15(25)26-16(3,4)5/h9-11H,6-8,17H2,1-5H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)/t10-,11-/m0/s1
InChIKeyZFGWCCRWWLZEEN-QWRGUYRKSA-N
XLogP-0.33
TPSA165.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 5-0.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate
CID 53360518
tert-butyl N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 11049014
5-amino-2-[[5-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 22706541
5-amino-2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 22705034
tert-butyl N-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]carbamate
CID 139252847
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 22704933
5-amino-2-[[5-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 22706145
2-[[5-amino-2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoic acid
CID 22704952
5-amino-2-[[5-amino-2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 22702581
2-[[5-amino-2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 22704955
2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 18222092
2-[[5-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 22703768

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate (CID 131713868) is tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate is CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate?
The InChIKey is ZFGWCCRWWLZEEN-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H31N5O5/c1-9(2)8-10(17)13(23)19-11(6-7-12(18)22)14(24)20-21-15(25)26-16(3,4)5/h9-11H,6-8,17H2,1-5H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate?
tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate has a molecular weight of 373.45 g/mol, XLogP of -0.33, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate is sourced from PubChem (CID 131713868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).