(2R)-2-amino-N-butylpentanamide

C9H20N2O — CID 82668431

IUPAC(2R)-2-amino-N-butylpentanamide
SMILESCCCCNC(=O)[C@H](N)CCC
InChIInChI=1S/C9H20N2O/c1-3-5-7-11-9(12)8(10)6-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyAUWGTHMRMCQQQS-MRVPVSSYSA-N
MW172.27 g/mol
LogP1.03
Rot. Bonds6

About (2R)-2-amino-N-butylpentanamide

(2R)-2-amino-N-butylpentanamide (PubChem CID 82668431) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R)-2-amino-N-butylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butylpentanamide
PubChem CID82668431
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2R)-2-amino-N-butylpentanamide
SMILESCCCCNC(=O)[C@H](N)CCC
InChIInChI=1S/C9H20N2O/c1-3-5-7-11-9(12)8(10)6-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyAUWGTHMRMCQQQS-MRVPVSSYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-propylpentanamide
CID 43649977
(2S)-2-amino-N-butyl-4-chlorobutanamide
CID 169302216
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
2-amino-N-hexylhexanamide
CID 60852762
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butylpentanamide?
The IUPAC name of (2R)-2-amino-N-butylpentanamide (CID 82668431) is (2R)-2-amino-N-butylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-butylpentanamide?
The canonical SMILES for (2R)-2-amino-N-butylpentanamide is CCCCNC(=O)[C@H](N)CCC.
What is the InChIKey of (2R)-2-amino-N-butylpentanamide?
The InChIKey is AUWGTHMRMCQQQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-7-11-9(12)8(10)6-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-butylpentanamide?
(2R)-2-amino-N-butylpentanamide has a molecular weight of 172.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butylpentanamide is sourced from PubChem (CID 82668431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).