(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide

C11H22N2O3 — CID 166658845

IUPAC(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide
SMILESCNC[C@H](NC(=O)C[C@H](C)O)C(=O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)11(16)9(6-12-4)13-10(15)5-8(3)14/h7-9,12,14H,5-6H2,1-4H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyMSHVWWOWAMHTIB-IUCAKERBSA-N
MW230.31 g/mol
LogP-0.31
Rot. Bonds7

About (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide

(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide (PubChem CID 166658845) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide
PubChem CID166658845
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide
SMILESCNC[C@H](NC(=O)C[C@H](C)O)C(=O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)11(16)9(6-12-4)13-10(15)5-8(3)14/h7-9,12,14H,5-6H2,1-4H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyMSHVWWOWAMHTIB-IUCAKERBSA-N
XLogP-0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide?
The IUPAC name of (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide (CID 166658845) is (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide is CNC[C@H](NC(=O)C[C@H](C)O)C(=O)C(C)C.
What is the InChIKey of (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide?
The InChIKey is MSHVWWOWAMHTIB-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)11(16)9(6-12-4)13-10(15)5-8(3)14/h7-9,12,14H,5-6H2,1-4H3,(H,13,15)/t8-,9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide?
(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide has a molecular weight of 230.31 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide is sourced from PubChem (CID 166658845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).