[(2S)-2-amino-4-methylpentyl]carbamic acid

C7H16N2O2 — CID 155804554

IUPAC[(2S)-2-amino-4-methylpentyl]carbamic acid
SMILESCC(C)C[C@H](N)CNC(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyMUXHOSWJKVCQIF-LURJTMIESA-N
MW160.22 g/mol
LogP0.63
Rot. Bonds4

About [(2S)-2-amino-4-methylpentyl]carbamic acid

[(2S)-2-amino-4-methylpentyl]carbamic acid (PubChem CID 155804554) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [(2S)-2-amino-4-methylpentyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-amino-4-methylpentyl]carbamic acid
PubChem CID155804554
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name[(2S)-2-amino-4-methylpentyl]carbamic acid
SMILESCC(C)C[C@H](N)CNC(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyMUXHOSWJKVCQIF-LURJTMIESA-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

N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
ethyl N-(2-amino-4-methylpentyl)carbamate
CID 107158934
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
(2-amino-3-propan-2-yloxypropyl)carbamic acid
CID 90113909
N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide
CID 107158792
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
(3S)-3-[[(2R)-2-amino-4-methylpentyl]amino]-5-methylhexan-2-one
CID 59336792
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692
N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107158781
methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
CID 90032221

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-4-methylpentyl]carbamic acid?
The IUPAC name of [(2S)-2-amino-4-methylpentyl]carbamic acid (CID 155804554) is [(2S)-2-amino-4-methylpentyl]carbamic acid.
What is the SMILES notation for [(2S)-2-amino-4-methylpentyl]carbamic acid?
The canonical SMILES for [(2S)-2-amino-4-methylpentyl]carbamic acid is CC(C)C[C@H](N)CNC(=O)O.
What is the InChIKey of [(2S)-2-amino-4-methylpentyl]carbamic acid?
The InChIKey is MUXHOSWJKVCQIF-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of [(2S)-2-amino-4-methylpentyl]carbamic acid?
[(2S)-2-amino-4-methylpentyl]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 [(2S)-2-amino-4-methylpentyl]carbamic acid is sourced from PubChem (CID 155804554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).