2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid

C10H15N3O4 — CID 106421246

IUPAC2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-3-8(9(14)15)13-10(16)11-6-7-4-5-12-17-7/h4-5,8H,2-3,6H2,1H3,(H,14,15)(H2,11,13,16)
InChIKeyAZCFPBCKPQSDSJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.73
Rot. Bonds6

About 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid

2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 106421246) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
PubChem CID106421246
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-3-8(9(14)15)13-10(16)11-6-7-4-5-12-17-7/h4-5,8H,2-3,6H2,1H3,(H,14,15)(H2,11,13,16)
InChIKeyAZCFPBCKPQSDSJ-UHFFFAOYSA-N
XLogP0.73
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 106421211
(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421210
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 114186675
(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106421305
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106421215
2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 106420891
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid
CID 114111844
3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid (CID 106421246) is 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCc1ccno1)C(=O)O.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is AZCFPBCKPQSDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-3-8(9(14)15)13-10(16)11-6-7-4-5-12-17-7/h4-5,8H,2-3,6H2,1H3,(H,14,15)(H2,11,13,16).
What are the key properties of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid?
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 106421246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).