2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid

C16H24N4O3 — CID 167774042

IUPAC2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)CCn2cccn2)C1
InChIInChI=1S/C16H24N4O3/c21-15(4-7-20-6-1-5-17-20)18-13-8-14(9-13)19(11-16(22)23)10-12-2-3-12/h1,5-6,12-14H,2-4,7-11H2,(H,18,21)(H,22,23)
InChIKeyGMNJXEOSYQXJMJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.72
Rot. Bonds9

About 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid (PubChem CID 167774042) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid
PubChem CID167774042
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)CCn2cccn2)C1
InChIInChI=1S/C16H24N4O3/c21-15(4-7-20-6-1-5-17-20)18-13-8-14(9-13)19(11-16(22)23)10-12-2-3-12/h1,5-6,12-14H,2-4,7-11H2,(H,18,21)(H,22,23)
InChIKeyGMNJXEOSYQXJMJ-UHFFFAOYSA-N
XLogP0.72
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
2-[ethyl-[3-[[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025408
N-(2-aminocyclopropyl)-3-pyrazol-1-ylpropanamide
CID 43593652
N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide
CID 106995080
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091275
2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 128973904
2-[cyclopropylmethyl-[3-[3-(2,4-dimethylphenyl)propanoylamino]cyclobutyl]amino]acetic acid
CID 129005509
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004809
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-[3-[(1-methyl-5-phenylpyrazol-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093528

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid (CID 167774042) is 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)CCn2cccn2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid?
The InChIKey is GMNJXEOSYQXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-15(4-7-20-6-1-5-17-20)18-13-8-14(9-13)19(11-16(22)23)10-12-2-3-12/h1,5-6,12-14H,2-4,7-11H2,(H,18,21)(H,22,23).
What are the key properties of 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 167774042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).