(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide

C13H28N2O — CID 61154397

IUPAC(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
SMILESCCCCCC(C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-7-8-11(4)15-13(16)12(14)9-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyXLWVOXQMLABDBE-KIYNQFGBSA-N
MW228.38 g/mol
LogP2.44
Rot. Bonds8

About (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide

(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide (PubChem CID 61154397) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
PubChem CID61154397
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
SMILESCCCCCC(C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-7-8-11(4)15-13(16)12(14)9-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyXLWVOXQMLABDBE-KIYNQFGBSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.44
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-4-methyl-N-octan-2-ylpentanamide
CID 61179526
2-amino-N-octan-2-ylbutanamide
CID 43711439
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
CID 11738548
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2S)-2-amino-N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]-4-methylpentanamide
CID 148549445
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
2-amino-5-methoxy-N-octan-2-ylpentanamide
CID 81083239
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide (CID 61154397) is (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide is CCCCCC(C)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide?
The InChIKey is XLWVOXQMLABDBE-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-7-8-11(4)15-13(16)12(14)9-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide?
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-heptan-2-yl-4-methylpentanamide is sourced from PubChem (CID 61154397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).