(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide

C12H24N2O3 — CID 173121896

IUPAC(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](N)[C@H](O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)5-9(6-15)14-12(17)10(13)11(16)8(3)4/h6-11,16H,5,13H2,1-4H3,(H,14,17)/t9-,10-,11+/m0/s1
InChIKeyIETMUIGOVQRNTM-GARJFASQSA-N
MW244.33 g/mol
LogP0.06
Rot. Bonds7

About (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide

(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (PubChem CID 173121896) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
PubChem CID173121896
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](N)[C@H](O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)5-9(6-15)14-12(17)10(13)11(16)8(3)4/h6-11,16H,5,13H2,1-4H3,(H,14,17)/t9-,10-,11+/m0/s1
InChIKeyIETMUIGOVQRNTM-GARJFASQSA-N
XLogP0.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 154573898
(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
CID 56637055
2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methyl-N-[1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]butanamide
CID 118618423
2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 143591672
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
(2S,3R)-2-amino-N,3-dimethyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide
CID 54488512
2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
(2S)-2-amino-3-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 54091768
(E)-4-(2-aminopropanoylamino)-6-methylhept-2-enoic acid
CID 5364156

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (CID 173121896) is (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide is CC(C)C[C@@H](C=O)NC(=O)[C@@H](N)[C@H](O)C(C)C.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The InChIKey is IETMUIGOVQRNTM-GARJFASQSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)5-9(6-15)14-12(17)10(13)11(16)8(3)4/h6-11,16H,5,13H2,1-4H3,(H,14,17)/t9-,10-,11+/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 173121896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).