(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid

C15H28N2O5 — CID 10805367

IUPAC(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-8(2)6-10(12(18)15(21)22)13(19)17-11(7-9(3)4)14(20)16-5/h8-12,18H,6-7H2,1-5H3,(H,16,20)(H,17,19)(H,21,22)/t10-,11+,12+/m1/s1
InChIKeyOQAZEXCWOZTCME-WOPDTQHZSA-N
MW316.40 g/mol
LogP0.37
Rot. Bonds9

About (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid

(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid (PubChem CID 10805367) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid
PubChem CID10805367
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-8(2)6-10(12(18)15(21)22)13(19)17-11(7-9(3)4)14(20)16-5/h8-12,18H,6-7H2,1-5H3,(H,16,20)(H,17,19)(H,21,22)/t10-,11+,12+/m1/s1
InChIKeyOQAZEXCWOZTCME-WOPDTQHZSA-N
XLogP0.37
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide
CID 22955432
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
1-hydroxypentane-1,2,4-tricarboxylic acid
CID 159403665
(2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide
CID 10524710
tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
CID 11099595

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid?
The IUPAC name of (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid (CID 10805367) is (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid.
What is the SMILES notation for (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid?
The canonical SMILES for (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid is CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid?
The InChIKey is OQAZEXCWOZTCME-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-8(2)6-10(12(18)15(21)22)13(19)17-11(7-9(3)4)14(20)16-5/h8-12,18H,6-7H2,1-5H3,(H,16,20)(H,17,19)(H,21,22)/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid?
(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid has a molecular weight of 316.40 g/mol, XLogP of 0.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid is sourced from PubChem (CID 10805367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).