(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid

C10H13N3O5 — CID 107830037

IUPAC(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1cnoc1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-5-4-12-18-8(5)9(15)13-6(10(16)17)2-3-7(11)14/h4,6H,2-3H2,1H3,(H2,11,14)(H,13,15)(H,16,17)/t6-/m1/s1
InChIKeyCQOFPIBTXPYSIF-ZCFIWIBFSA-N
MW255.23 g/mol
LogP-0.57
Rot. Bonds6

About (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107830037) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107830037
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1cnoc1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-5-4-12-18-8(5)9(15)13-6(10(16)17)2-3-7(11)14/h4,6H,2-3H2,1H3,(H2,11,14)(H,13,15)(H,16,17)/t6-/m1/s1
InChIKeyCQOFPIBTXPYSIF-ZCFIWIBFSA-N
XLogP-0.57
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906343
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 66336140
3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81076607
(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
(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid
CID 110835187
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 66335537
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
CID 63283012

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid (CID 107830037) is (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid is Cc1cnoc1C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is CQOFPIBTXPYSIF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-5-4-12-18-8(5)9(15)13-6(10(16)17)2-3-7(11)14/h4,6H,2-3H2,1H3,(H2,11,14)(H,13,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 255.23 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).