(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide

C12H26N2O — CID 61472767

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
SMILESCCC(NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-9(5)11(13)12(15)14-10(7-2)8(3)4/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t9-,10?,11-/m0/s1
InChIKeyPAEWVDJCONZLED-JRUYECLLSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide (PubChem CID 61472767) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
PubChem CID61472767
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
SMILESCCC(NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-9(5)11(13)12(15)14-10(7-2)8(3)4/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t9-,10?,11-/m0/s1
InChIKeyPAEWVDJCONZLED-JRUYECLLSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
(3R,4R,5R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4,5-dimethylheptanoic acid
CID 87610116
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate
CID 119709055
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide (CID 61472767) is (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide is CCC(NC(=O)[C@@H](N)[C@@H](C)CC)C(C)C.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide?
The InChIKey is PAEWVDJCONZLED-JRUYECLLSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-9(5)11(13)12(15)14-10(7-2)8(3)4/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t9-,10?,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 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-methylpentan-3-yl)pentanamide is sourced from PubChem (CID 61472767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).