(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid

C11H15N3O5 — CID 110835187

IUPAC(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1nc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)oc1C
InChIInChI=1S/C11H15N3O5/c1-5-6(2)19-10(13-5)9(16)14-7(11(17)18)3-4-8(12)15/h7H,3-4H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t7-/m0/s1
InChIKeyAGSJFJWNCXOQLT-ZETCQYMHSA-N
MW269.26 g/mol
LogP-0.26
Rot. Bonds6

About (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 110835187) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID110835187
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1nc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)oc1C
InChIInChI=1S/C11H15N3O5/c1-5-6(2)19-10(13-5)9(16)14-7(11(17)18)3-4-8(12)15/h7H,3-4H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t7-/m0/s1
InChIKeyAGSJFJWNCXOQLT-ZETCQYMHSA-N
XLogP-0.26
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
CID 61145159
(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095
(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830203
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid (CID 110835187) is (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid is Cc1nc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)oc1C.
What is the InChIKey of (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is AGSJFJWNCXOQLT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-6(2)19-10(13-5)9(16)14-7(11(17)18)3-4-8(12)15/h7H,3-4H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 110835187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).