(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide

C10H22N2O — CID 61148058

IUPAC(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
SMILESCCCC(C)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-6-8(4)12-10(13)9(11)7(2)3/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyJKFVUBLDRMXNRH-GKAPJAKFSA-N
MW186.30 g/mol
LogP1.27
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide

(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide (PubChem CID 61148058) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
PubChem CID61148058
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
SMILESCCCC(C)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-6-8(4)12-10(13)9(11)7(2)3/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyJKFVUBLDRMXNRH-GKAPJAKFSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide
CID 176948747
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
CID 107147000
2-bromo-N-pentan-2-ylpropanamide
CID 81222887
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
CID 145302166
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide (CID 61148058) is (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide is CCCC(C)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide?
The InChIKey is JKFVUBLDRMXNRH-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-6-8(4)12-10(13)9(11)7(2)3/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide?
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.27, 5 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-pentan-2-ylbutanamide is sourced from PubChem (CID 61148058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).