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

C8H12N4O3 — CID 61199626

IUPAC2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C8H12N4O3/c1-5(7(13)14)10-8(15)11-6-3-9-12(2)4-6/h3-5H,1-2H3,(H,13,14)(H2,10,11,15)
InChIKeyIVGJSHFNUDWDPF-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.01
Rot. Bonds3

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

2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid (PubChem CID 61199626) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
PubChem CID61199626
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C8H12N4O3/c1-5(7(13)14)10-8(15)11-6-3-9-12(2)4-6/h3-5H,1-2H3,(H,13,14)(H2,10,11,15)
InChIKeyIVGJSHFNUDWDPF-UHFFFAOYSA-N
XLogP0.01
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 113278892
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid (CID 61199626) is 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
The InChIKey is IVGJSHFNUDWDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5(7(13)14)10-8(15)11-6-3-9-12(2)4-6/h3-5H,1-2H3,(H,13,14)(H2,10,11,15).
What are the key properties of 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid?
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61199626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).