(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid

C12H20N4O4 — CID 107828790

IUPAC(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCCc1nn(C)cc1CNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-3-9-8(7-16(2)15-9)6-13-12(20)14-10(4-5-17)11(18)19/h7,10,17H,3-6H2,1-2H3,(H,18,19)(H2,13,14,20)/t10-/m1/s1
InChIKeyPDPWDXJRNNXHCP-SNVBAGLBSA-N
MW284.32 g/mol
LogP-0.38
Rot. Bonds7

About (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107828790) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
PubChem CID107828790
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCCc1nn(C)cc1CNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-3-9-8(7-16(2)15-9)6-13-12(20)14-10(4-5-17)11(18)19/h7,10,17H,3-6H2,1-2H3,(H,18,19)(H2,13,14,20)/t10-/m1/s1
InChIKeyPDPWDXJRNNXHCP-SNVBAGLBSA-N
XLogP-0.38
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 115991208
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
(2S)-3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 114007698
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
(2R)-4-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114126255
2-[[2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 115991130
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 115991283
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 115990370
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid
CID 107464187
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid (CID 107828790) is (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid is CCc1nn(C)cc1CNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is PDPWDXJRNNXHCP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-3-9-8(7-16(2)15-9)6-13-12(20)14-10(4-5-17)11(18)19/h7,10,17H,3-6H2,1-2H3,(H,18,19)(H2,13,14,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 284.32 g/mol, XLogP of -0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107828790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).