tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate

C11H22N4O4 — CID 15719926

IUPACtert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NNCCC(N)=O
InChIInChI=1S/C11H22N4O4/c1-7(14-10(18)19-11(2,3)4)9(17)15-13-6-5-8(12)16/h7,13H,5-6H2,1-4H3,(H2,12,16)(H,14,18)(H,15,17)/t7-/m0/s1
InChIKeyXAVVONOEBHOKJV-ZETCQYMHSA-N
MW274.32 g/mol
LogP-0.60
Rot. Bonds6

About tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate (PubChem CID 15719926) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
PubChem CID15719926
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Nametert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NNCCC(N)=O
InChIInChI=1S/C11H22N4O4/c1-7(14-10(18)19-11(2,3)4)9(17)15-13-6-5-8(12)16/h7,13H,5-6H2,1-4H3,(H2,12,16)(H,14,18)(H,15,17)/t7-/m0/s1
InChIKeyXAVVONOEBHOKJV-ZETCQYMHSA-N
XLogP-0.60
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-3-(1-bicyclo[1.1.1]pentanyl)-1-oxopropan-2-yl]carbamate
CID 162739079
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 59775131
(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 86308273
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 6992568
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate (CID 15719926) is tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)NNCCC(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is XAVVONOEBHOKJV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-7(14-10(18)19-11(2,3)4)9(17)15-13-6-5-8(12)16/h7,13H,5-6H2,1-4H3,(H2,12,16)(H,14,18)(H,15,17)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 274.32 g/mol, XLogP of -0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 15719926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).