(1-amino-4-methylpentan-2-yl)carbamic acid

C7H16N2O2 — CID 19820731

IUPAC(1-amino-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)CC(CN)NC(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyRJJBFDBMVBMWRB-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.63
Rot. Bonds4

About (1-amino-4-methylpentan-2-yl)carbamic acid

(1-amino-4-methylpentan-2-yl)carbamic acid (PubChem CID 19820731) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1-amino-4-methylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-amino-4-methylpentan-2-yl)carbamic acid
PubChem CID19820731
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(1-amino-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)CC(CN)NC(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyRJJBFDBMVBMWRB-UHFFFAOYSA-N
XLogP0.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
3-(carboxyamino)-5-methylhexanoic acid
CID 174574418
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
CID 115737405
[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid
CID 174157890
N-(1-amino-4-methylpentan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475600
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119585818
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
[1-amino-5-(carboxyamino)-6-methylheptan-2-yl]carbamic acid
CID 135324641

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-methylpentan-2-yl)carbamic acid?
The IUPAC name of (1-amino-4-methylpentan-2-yl)carbamic acid (CID 19820731) is (1-amino-4-methylpentan-2-yl)carbamic acid.
What is the SMILES notation for (1-amino-4-methylpentan-2-yl)carbamic acid?
The canonical SMILES for (1-amino-4-methylpentan-2-yl)carbamic acid is CC(C)CC(CN)NC(=O)O.
What is the InChIKey of (1-amino-4-methylpentan-2-yl)carbamic acid?
The InChIKey is RJJBFDBMVBMWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11).
What are the key properties of (1-amino-4-methylpentan-2-yl)carbamic acid?
(1-amino-4-methylpentan-2-yl)carbamic acid has a molecular weight of 160.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-methylpentan-2-yl)carbamic acid is sourced from PubChem (CID 19820731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).