(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide

C12H26N2O — CID 61470844

IUPAC(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
SMILESCCC(NC(=O)[C@@H](N)CC(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(9(4)5)14-12(15)10(13)7-8(2)3/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t10-,11?/m0/s1
InChIKeyNQXMFMKHMGOPHS-VUWPPUDQSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide

(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide (PubChem CID 61470844) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
PubChem CID61470844
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
SMILESCCC(NC(=O)[C@@H](N)CC(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(9(4)5)14-12(15)10(13)7-8(2)3/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t10-,11?/m0/s1
InChIKeyNQXMFMKHMGOPHS-VUWPPUDQSA-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

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Related Compounds

2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 103951305
methyl (2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoate
CID 15017829
2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 85264464
(3S,4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoic acid
CID 88665450
(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 61173670
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide (CID 61470844) is (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide is CCC(NC(=O)[C@@H](N)CC(C)C)C(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide?
The InChIKey is NQXMFMKHMGOPHS-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-11(9(4)5)14-12(15)10(13)7-8(2)3/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide?
(2S)-2-amino-4-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)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide is sourced from PubChem (CID 61470844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).