tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate

C10H21N3O3 — CID 176793158

IUPACtert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CN)CCC(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-7(6-11)4-5-8(12)14/h7H,4-6,11H2,1-3H3,(H2,12,14)(H,13,15)/t7-/m0/s1
InChIKeyKCXDOCKKQLWONY-ZETCQYMHSA-N
MW231.30 g/mol
LogP0.10
Rot. Bonds5

About tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate (PubChem CID 176793158) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
PubChem CID176793158
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CN)CCC(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-7(6-11)4-5-8(12)14/h7H,4-6,11H2,1-3H3,(H2,12,14)(H,13,15)/t7-/m0/s1
InChIKeyKCXDOCKKQLWONY-ZETCQYMHSA-N
XLogP0.10
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate
CID 7010014
tert-butyl N-[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 23256080
tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197
tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanethioic S-acid
CID 175192087
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
CID 140914884
10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid
CID 155189688
tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
CID 53396005
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51387393
tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate
CID 158541004
ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 157026850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate (CID 176793158) is tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CN)CCC(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate?
The InChIKey is KCXDOCKKQLWONY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-7(6-11)4-5-8(12)14/h7H,4-6,11H2,1-3H3,(H2,12,14)(H,13,15)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate has a molecular weight of 231.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate is sourced from PubChem (CID 176793158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).