3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid

C13H20N4O3 — CID 122089514

IUPAC3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid
SMILESCc1cc(NC(=O)NCCC(=O)O)nn1C(C)C1CC1
InChIInChI=1S/C13H20N4O3/c1-8-7-11(15-13(20)14-6-5-12(18)19)16-17(8)9(2)10-3-4-10/h7,9-10H,3-6H2,1-2H3,(H,18,19)(H2,14,15,16,20)
InChIKeyFMSSYNPVVBQUKH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.76
Rot. Bonds6

About 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid

3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid (PubChem CID 122089514) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid
PubChem CID122089514
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid
SMILESCc1cc(NC(=O)NCCC(=O)O)nn1C(C)C1CC1
InChIInChI=1S/C13H20N4O3/c1-8-7-11(15-13(20)14-6-5-12(18)19)16-17(8)9(2)10-3-4-10/h7,9-10H,3-6H2,1-2H3,(H,18,19)(H2,14,15,16,20)
InChIKeyFMSSYNPVVBQUKH-UHFFFAOYSA-N
XLogP1.76
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(3-methylsulfanylpropyl)urea
CID 97273514
N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide
CID 166343196
3-[(4-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 122006845
1-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-3-(2-propan-2-ylsulfanylethyl)urea
CID 125158154
5-(cyanomethyl)-N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126838687
4-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]butanoic acid
CID 122089041
2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122088862
N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide
CID 154862929
3-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576602
3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid
CID 54954210

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid (CID 122089514) is 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid is Cc1cc(NC(=O)NCCC(=O)O)nn1C(C)C1CC1.
What is the InChIKey of 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid?
The InChIKey is FMSSYNPVVBQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-7-11(15-13(20)14-6-5-12(18)19)16-17(8)9(2)10-3-4-10/h7,9-10H,3-6H2,1-2H3,(H,18,19)(H2,14,15,16,20).
What are the key properties of 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid?
3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122089514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).