(2S)-5-amino-2-methyl-4-oxopentanoic acid

C6H11NO3 — CID 122518877

IUPAC(2S)-5-amino-2-methyl-4-oxopentanoic acid
SMILESC[C@@H](CC(=O)CN)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)2-5(8)3-7/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyHJBHOJZDRYXROF-BYPYZUCNSA-N
MW145.16 g/mol
LogP-0.38
Rot. Bonds4

About (2S)-5-amino-2-methyl-4-oxopentanoic acid

(2S)-5-amino-2-methyl-4-oxopentanoic acid (PubChem CID 122518877) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-5-amino-2-methyl-4-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-methyl-4-oxopentanoic acid
PubChem CID122518877
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S)-5-amino-2-methyl-4-oxopentanoic acid
SMILESC[C@@H](CC(=O)CN)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)2-5(8)3-7/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyHJBHOJZDRYXROF-BYPYZUCNSA-N
XLogP-0.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-oxoheptanedioic acid
CID 19810818
(2S,6R)-2-amino-6-methyl-4-oxoheptanedioic acid
CID 160809649
7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
CID 19860300
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
4-amino-2-methylbutanoic acid
CID 3759025
7,7,7-trifluoro-2-methyl-4,6-dioxoheptanoic acid
CID 19789961
(2R)-7,7,7-trifluoro-2-methyl-4-oxoheptanoic acid
CID 153139701
(2R)-2-methyl-4-oxopentadecanoic acid
CID 163018210
3-aminobutan-2-one;2-methyl-4-oxopentanoic acid
CID 175849893
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
CID 161117685
4-carbamoyl-2-methylhex-4-enoic acid
CID 58121306
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-methyl-4-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-methyl-4-oxopentanoic acid (CID 122518877) is (2S)-5-amino-2-methyl-4-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-methyl-4-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-methyl-4-oxopentanoic acid is C[C@@H](CC(=O)CN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-methyl-4-oxopentanoic acid?
The InChIKey is HJBHOJZDRYXROF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(9)10)2-5(8)3-7/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-5-amino-2-methyl-4-oxopentanoic acid?
(2S)-5-amino-2-methyl-4-oxopentanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-methyl-4-oxopentanoic acid is sourced from PubChem (CID 122518877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).