(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide

C15H32N2O — CID 79491812

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(CC(C)C)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C15H32N2O/c1-7-12(6)14(16)15(18)17(10-11(4)5)13(8-2)9-3/h11-14H,7-10,16H2,1-6H3/t12-,14-/m0/s1
InChIKeyGJECCKAGBVELFU-JSGCOSHPSA-N
MW256.43 g/mol
LogP3.03
Rot. Bonds8

About (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide

(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide (PubChem CID 79491812) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
PubChem CID79491812
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(CC(C)C)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C15H32N2O/c1-7-12(6)14(16)15(18)17(10-11(4)5)13(8-2)9-3/h11-14H,7-10,16H2,1-6H3/t12-,14-/m0/s1
InChIKeyGJECCKAGBVELFU-JSGCOSHPSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide
CID 54998676
(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 103930183
3-amino-4-[2-methylpropyl(pentan-3-yl)amino]-4-oxobutanoic acid
CID 79490276
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide
CID 79490067
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79491505
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
methyl 2-[[(2S,3S)-2-amino-3-methylpentanoyl]-propan-2-ylamino]acetate
CID 61164140
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide (CID 79491812) is (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide is CCC(CC)N(CC(C)C)C(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide?
The InChIKey is GJECCKAGBVELFU-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-12(6)14(16)15(18)17(10-11(4)5)13(8-2)9-3/h11-14H,7-10,16H2,1-6H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide?
(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide has a molecular weight of 256.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide is sourced from PubChem (CID 79491812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).