(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid

C12H19N3O5 — CID 107828295

IUPAC(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCc1noc(C)c1C(C)NC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H19N3O5/c1-6(10-7(2)15-20-8(10)3)13-12(19)14-9(4-5-16)11(17)18/h6,9,16H,4-5H2,1-3H3,(H,17,18)(H2,13,14,19)/t6?,9-/m1/s1
InChIKeyJVPJFWGRIGVYHM-IOJJLOCKSA-N
MW285.30 g/mol
LogP0.49
Rot. Bonds6

About (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107828295) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
PubChem CID107828295
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCc1noc(C)c1C(C)NC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H19N3O5/c1-6(10-7(2)15-20-8(10)3)13-12(19)14-9(4-5-16)11(17)18/h6,9,16H,4-5H2,1-3H3,(H,17,18)(H2,13,14,19)/t6?,9-/m1/s1
InChIKeyJVPJFWGRIGVYHM-IOJJLOCKSA-N
XLogP0.49
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455508
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-hydroxybutanoic acid
CID 107822176
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 114182493
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537298
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid (CID 107828295) is (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid is Cc1noc(C)c1C(C)NC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is JVPJFWGRIGVYHM-IOJJLOCKSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-6(10-7(2)15-20-8(10)3)13-12(19)14-9(4-5-16)11(17)18/h6,9,16H,4-5H2,1-3H3,(H,17,18)(H2,13,14,19)/t6?,9-/m1/s1.
What are the key properties of (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 285.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107828295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).