[(2S)-2-methylbutyl]carbamic acid

C6H13NO2 — CID 147069594

IUPAC[(2S)-2-methylbutyl]carbamic acid
SMILESCC[C@H](C)CNC(=O)O
InChIInChI=1S/C6H13NO2/c1-3-5(2)4-7-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyBETWVBJWUHEOMW-YFKPBYRVSA-N
MW131.18 g/mol
LogP1.30
Rot. Bonds3

About [(2S)-2-methylbutyl]carbamic acid

[(2S)-2-methylbutyl]carbamic acid (PubChem CID 147069594) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [(2S)-2-methylbutyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-methylbutyl]carbamic acid
PubChem CID147069594
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[(2S)-2-methylbutyl]carbamic acid
SMILESCC[C@H](C)CNC(=O)O
InChIInChI=1S/C6H13NO2/c1-3-5(2)4-7-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyBETWVBJWUHEOMW-YFKPBYRVSA-N
XLogP1.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347
2-methylbutylcarbamothioic S-acid
CID 87545764
2-methylbutylurea
CID 22179633
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
ethane;N-(2-methylbutyl)propanamide
CID 177054062
(3-hydroxy-2-methylpentyl)carbamic acid
CID 166728849
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
3-(2-methylbutylcarbamoylamino)butanoic acid
CID 62691851
acetic acid;methane;bis(2-methylbutan-1-amine);N-(2-methylbutyl)acetamide
CID 167598192
carbonic acid;3-methylpentane
CID 173481374
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylbutyl]carbamic acid?
The IUPAC name of [(2S)-2-methylbutyl]carbamic acid (CID 147069594) is [(2S)-2-methylbutyl]carbamic acid.
What is the SMILES notation for [(2S)-2-methylbutyl]carbamic acid?
The canonical SMILES for [(2S)-2-methylbutyl]carbamic acid is CC[C@H](C)CNC(=O)O.
What is the InChIKey of [(2S)-2-methylbutyl]carbamic acid?
The InChIKey is BETWVBJWUHEOMW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(2)4-7-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of [(2S)-2-methylbutyl]carbamic acid?
[(2S)-2-methylbutyl]carbamic acid has a molecular weight of 131.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylbutyl]carbamic acid is sourced from PubChem (CID 147069594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).