(2S)-2-amino-3-methyl-N-pentylpentanamide

C11H24N2O — CID 22690936

IUPAC(2S)-2-amino-3-methyl-N-pentylpentanamide
SMILESCCCCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C11H24N2O/c1-4-6-7-8-13-11(14)10(12)9(3)5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyYLXSOTFAXLIDDZ-AXDSSHIGSA-N
MW200.33 g/mol
LogP1.67
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-pentylpentanamide

(2S)-2-amino-3-methyl-N-pentylpentanamide (PubChem CID 22690936) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-pentylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-pentylpentanamide
PubChem CID22690936
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-3-methyl-N-pentylpentanamide
SMILESCCCCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C11H24N2O/c1-4-6-7-8-13-11(14)10(12)9(3)5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyYLXSOTFAXLIDDZ-AXDSSHIGSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.67
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-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
2-[(2-amino-3-methylpentanoyl)amino]ethanesulfonic acid
CID 23189977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-pentylpentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-pentylpentanamide (CID 22690936) is (2S)-2-amino-3-methyl-N-pentylpentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-pentylpentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-pentylpentanamide is CCCCCNC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-3-methyl-N-pentylpentanamide?
The InChIKey is YLXSOTFAXLIDDZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-6-7-8-13-11(14)10(12)9(3)5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-pentylpentanamide?
(2S)-2-amino-3-methyl-N-pentylpentanamide has a molecular weight of 200.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-pentylpentanamide is sourced from PubChem (CID 22690936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).