[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate

C9H20N2O2 — CID 58818558

IUPAC[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(10)5-13-9(12)11-7(3)4/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m1/s1
InChIKeyCVVSCUDDTVGMJM-MRVPVSSYSA-N
MW188.27 g/mol
LogP1.10
Rot. Bonds4

About [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate

[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate (PubChem CID 58818558) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
PubChem CID58818558
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(10)5-13-9(12)11-7(3)4/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m1/s1
InChIKeyCVVSCUDDTVGMJM-MRVPVSSYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate
CID 58681193
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
5-methyl-3-(propan-2-ylcarbamoyloxymethyl)hexanoic acid
CID 140532992
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
oxiran-2-ylmethyl N-propan-2-ylcarbamate
CID 19812627
propan-2-ylcarbamoyloxymethyl ethanimidate
CID 138493389

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate?
The IUPAC name of [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate (CID 58818558) is [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC[C@@H](N)C(C)C.
What is the InChIKey of [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate?
The InChIKey is CVVSCUDDTVGMJM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)8(10)5-13-9(12)11-7(3)4/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m1/s1.
What are the key properties of [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate?
[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 58818558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).