(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid

C10H15N3O5 — CID 107827226

IUPAC(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
SMILESCc1cc(CNC(=O)N[C@H](CCO)C(=O)O)no1
InChIInChI=1S/C10H15N3O5/c1-6-4-7(13-18-6)5-11-10(17)12-8(2-3-14)9(15)16/h4,8,14H,2-3,5H2,1H3,(H,15,16)(H2,11,12,17)/t8-/m1/s1
InChIKeySMEQSKADOQDWPQ-MRVPVSSYSA-N
MW257.25 g/mol
LogP-0.38
Rot. Bonds6

About (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid (PubChem CID 107827226) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
PubChem CID107827226
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
SMILESCc1cc(CNC(=O)N[C@H](CCO)C(=O)O)no1
InChIInChI=1S/C10H15N3O5/c1-6-4-7(13-18-6)5-11-10(17)12-8(2-3-14)9(15)16/h4,8,14H,2-3,5H2,1H3,(H,15,16)(H2,11,12,17)/t8-/m1/s1
InChIKeySMEQSKADOQDWPQ-MRVPVSSYSA-N
XLogP-0.38
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid with MolForge

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2S)-4-hydroxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114184301
(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid
CID 107827257
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82012849
(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
CID 120615569
(2R)-4-hydroxy-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 107828406
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid (CID 107827226) is (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid is Cc1cc(CNC(=O)N[C@H](CCO)C(=O)O)no1.
What is the InChIKey of (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is SMEQSKADOQDWPQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-6-4-7(13-18-6)5-11-10(17)12-8(2-3-14)9(15)16/h4,8,14H,2-3,5H2,1H3,(H,15,16)(H2,11,12,17)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 257.25 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107827226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).