(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid

C11H13N5O4 — CID 106421215

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1ccno1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H13N5O4/c17-10(18)9(3-7-4-12-6-14-7)16-11(19)13-5-8-1-2-15-20-8/h1-2,4,6,9H,3,5H2,(H,12,14)(H,17,18)(H2,13,16,19)/t9-/m1/s1
InChIKeyZHRQMWQTERJULN-SECBINFHSA-N
MW279.26 g/mol
LogP-0.11
Rot. Bonds6

About (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid (PubChem CID 106421215) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
PubChem CID106421215
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
SMILESO=C(NCc1ccno1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H13N5O4/c17-10(18)9(3-7-4-12-6-14-7)16-11(19)13-5-8-1-2-15-20-8/h1-2,4,6,9H,3,5H2,(H,12,14)(H,17,18)(H2,13,16,19)/t9-/m1/s1
InChIKeyZHRQMWQTERJULN-SECBINFHSA-N
XLogP-0.11
TPSA133.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic 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)-2-(benzylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 11055328
3-(1H-imidazol-5-yl)-2-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244544
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
(2S)-2-(furan-3-ylmethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104874125
3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 83113392
3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106403775
(2R)-3-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)propanoic acid
CID 80757819
(2R)-3-(1H-imidazol-5-yl)-2-(3-methylbut-2-enylcarbamoylamino)propanoic acid
CID 106191581
(2S)-3-(1H-imidazol-5-yl)-2-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63959935
3-(1H-imidazol-5-yl)-2-(3-oxobutylcarbamoylamino)propanoic acid
CID 118534669
(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbut-2-enylcarbamoylamino)propanoic acid
CID 106191443

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid (CID 106421215) is (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid is O=C(NCc1ccno1)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is ZHRQMWQTERJULN-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N5O4/c17-10(18)9(3-7-4-12-6-14-7)16-11(19)13-5-8-1-2-15-20-8/h1-2,4,6,9H,3,5H2,(H,12,14)(H,17,18)(H2,13,16,19)/t9-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 279.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106421215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).