(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid

C10H16N4O4 — CID 104965883

IUPAC(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCn1cc(NC(=O)N[C@H](C(=O)O)[C@@H](C)O)cn1
InChIInChI=1S/C10H16N4O4/c1-3-14-5-7(4-11-14)12-10(18)13-8(6(2)15)9(16)17/h4-6,8,15H,3H2,1-2H3,(H,16,17)(H2,12,13,18)/t6-,8+/m1/s1
InChIKeyGKOKJNCVSZQRJH-SVRRBLITSA-N
MW256.26 g/mol
LogP-0.14
Rot. Bonds5

About (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 104965883) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID104965883
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCn1cc(NC(=O)N[C@H](C(=O)O)[C@@H](C)O)cn1
InChIInChI=1S/C10H16N4O4/c1-3-14-5-7(4-11-14)12-10(18)13-8(6(2)15)9(16)17/h4-6,8,15H,3H2,1-2H3,(H,16,17)(H2,12,13,18)/t6-,8+/m1/s1
InChIKeyGKOKJNCVSZQRJH-SVRRBLITSA-N
XLogP-0.14
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 94779080
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
(2S,3S)-3-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62902522
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 94797599
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
CID 103158622

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid (CID 104965883) is (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid is CCn1cc(NC(=O)N[C@H](C(=O)O)[C@@H](C)O)cn1.
What is the InChIKey of (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is GKOKJNCVSZQRJH-SVRRBLITSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-3-14-5-7(4-11-14)12-10(18)13-8(6(2)15)9(16)17/h4-6,8,15H,3H2,1-2H3,(H,16,17)(H2,12,13,18)/t6-,8+/m1/s1.
What are the key properties of (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104965883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).