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

C11H17N3O5 — CID 114182493

IUPAC(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCc1cnc(C(C)NC(=O)N[C@@H](CCO)C(=O)O)o1
InChIInChI=1S/C11H17N3O5/c1-6-5-12-9(19-6)7(2)13-11(18)14-8(3-4-15)10(16)17/h5,7-8,15H,3-4H2,1-2H3,(H,16,17)(H2,13,14,18)/t7?,8-/m0/s1
InChIKeyPXLQBDBIPNJOGL-MQWKRIRWSA-N
MW271.27 g/mol
LogP0.18
Rot. Bonds6

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

(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 114182493) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid
PubChem CID114182493
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCc1cnc(C(C)NC(=O)N[C@@H](CCO)C(=O)O)o1
InChIInChI=1S/C11H17N3O5/c1-6-5-12-9(19-6)7(2)13-11(18)14-8(3-4-15)10(16)17/h5,7-8,15H,3-4H2,1-2H3,(H,16,17)(H2,13,14,18)/t7?,8-/m0/s1
InChIKeyPXLQBDBIPNJOGL-MQWKRIRWSA-N
XLogP0.18
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107826865
(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828295
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid (CID 114182493) is (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid is Cc1cnc(C(C)NC(=O)N[C@@H](CCO)C(=O)O)o1.
What is the InChIKey of (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is PXLQBDBIPNJOGL-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-6-5-12-9(19-6)7(2)13-11(18)14-8(3-4-15)10(16)17/h5,7-8,15H,3-4H2,1-2H3,(H,16,17)(H2,13,14,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid?
(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 271.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 114182493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).