(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide

C12H26N2O2 — CID 61246451

IUPAC(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-5-9(4)11(13)12(16)14-10(7-15)6-8(2)3/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t9?,10?,11-/m0/s1
InChIKeyQETQZVBUENEDAS-ILDUYXDCSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds7

About (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide

(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide (PubChem CID 61246451) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
PubChem CID61246451
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-5-9(4)11(13)12(16)14-10(7-15)6-8(2)3/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t9?,10?,11-/m0/s1
InChIKeyQETQZVBUENEDAS-ILDUYXDCSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18295601
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 118060725
2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 65228765
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18297615
2-[[4-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
CID 18295442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide (CID 61246451) is (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC(CO)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide?
The InChIKey is QETQZVBUENEDAS-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-9(4)11(13)12(16)14-10(7-15)6-8(2)3/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide?
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 61246451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).