3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid

C12H18N4O3 — CID 112735110

IUPAC3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCn1nccc1CNC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-16-9(4-5-14-16)7-13-12(19)15-10(11(17)18)6-8-2-3-8/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyNUKYWIUAPFSPHB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.47
Rot. Bonds6

About 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid

3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid (PubChem CID 112735110) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
PubChem CID112735110
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCn1nccc1CNC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-16-9(4-5-14-16)7-13-12(19)15-10(11(17)18)6-8-2-3-8/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyNUKYWIUAPFSPHB-UHFFFAOYSA-N
XLogP0.47
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 114188996
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 87007413

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid (CID 112735110) is 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid is Cn1nccc1CNC(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is NUKYWIUAPFSPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16-9(4-5-14-16)7-13-12(19)15-10(11(17)18)6-8-2-3-8/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)(H2,13,15,19).
What are the key properties of 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 112735110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).