2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid

C8H12N4O4 — CID 66166738

IUPAC2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCn1cc(NC(=O)NCC(O)C(=O)O)cn1
InChIInChI=1S/C8H12N4O4/c1-12-4-5(2-10-12)11-8(16)9-3-6(13)7(14)15/h2,4,6,13H,3H2,1H3,(H,14,15)(H2,9,11,16)
InChIKeyXURIUCQISYSKGA-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.01
Rot. Bonds4

About 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid

2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid (PubChem CID 66166738) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
PubChem CID66166738
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCn1cc(NC(=O)NCC(O)C(=O)O)cn1
InChIInChI=1S/C8H12N4O4/c1-12-4-5(2-10-12)11-8(16)9-3-6(13)7(14)15/h2,4,6,13H,3H2,1H3,(H,14,15)(H2,9,11,16)
InChIKeyXURIUCQISYSKGA-UHFFFAOYSA-N
XLogP-1.01
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 107838447
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
3-hydroxy-3-methyl-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 66000811
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid (CID 66166738) is 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid is Cn1cc(NC(=O)NCC(O)C(=O)O)cn1.
What is the InChIKey of 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
The InChIKey is XURIUCQISYSKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-12-4-5(2-10-12)11-8(16)9-3-6(13)7(14)15/h2,4,6,13H,3H2,1H3,(H,14,15)(H2,9,11,16).
What are the key properties of 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid has a molecular weight of 228.21 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 66166738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).