(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid

C12H17N3O5 — CID 61145159

IUPAC(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCc1noc(C)c1CC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-6-8(7(2)20-15-6)5-11(17)14-9(12(18)19)3-4-10(13)16/h9H,3-5H2,1-2H3,(H2,13,16)(H,14,17)(H,18,19)/t9-/m0/s1
InChIKeyXVABMXVNGRCWTE-VIFPVBQESA-N
MW283.28 g/mol
LogP-0.33
Rot. Bonds7

About (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 61145159) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID61145159
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCc1noc(C)c1CC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-6-8(7(2)20-15-6)5-11(17)14-9(12(18)19)3-4-10(13)16/h9H,3-5H2,1-2H3,(H2,13,16)(H,14,17)(H,18,19)/t9-/m0/s1
InChIKeyXVABMXVNGRCWTE-VIFPVBQESA-N
XLogP-0.33
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid
CID 146135264
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-hydroxybutanoic acid
CID 107822176
4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 107144562
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid
CID 110835187
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
(2R)-5-amino-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-5-oxopentanoic acid
CID 107829986
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid (CID 61145159) is (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid is Cc1noc(C)c1CC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is XVABMXVNGRCWTE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O5/c1-6-8(7(2)20-15-6)5-11(17)14-9(12(18)19)3-4-10(13)16/h9H,3-5H2,1-2H3,(H2,13,16)(H,14,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61145159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).