2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid

C20H26N6O3 — CID 122074801

IUPAC2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCc1cc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n(-c2ccccn2)n1
InChIInChI=1S/C20H26N6O3/c1-13-8-18(26(24-13)17-4-2-3-7-21-17)23-20(29)22-15-9-16(10-15)25(12-19(27)28)11-14-5-6-14/h2-4,7-8,14-16H,5-6,9-12H2,1H3,(H,27,28)(H2,22,23,29)
InChIKeyRUJYFDOFGDLOLW-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.02
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122074801) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122074801
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCc1cc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n(-c2ccccn2)n1
InChIInChI=1S/C20H26N6O3/c1-13-8-18(26(24-13)17-4-2-3-7-21-17)23-20(29)22-15-9-16(10-15)25(12-19(27)28)11-14-5-6-14/h2-4,7-8,14-16H,5-6,9-12H2,1H3,(H,27,28)(H2,22,23,29)
InChIKeyRUJYFDOFGDLOLW-UHFFFAOYSA-N
XLogP2.02
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091275
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
2-[cyclopropylmethyl-[3-[(2,4,6-trimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073514
2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073452
2-[cyclopropylmethyl-[3-[(1-methyl-5-phenylpyrazol-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093528
2-[[3-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122088862
2-[cyclopropylmethyl-[3-[(2-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122087570
2-[cyclopropylmethyl-[3-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122086827
2-[[3-[(3-cyano-2-methylphenyl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122087273
2-[ethyl-[3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122027069
1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)urea
CID 126770837

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122074801) is 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid is Cc1cc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n(-c2ccccn2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is RUJYFDOFGDLOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-8-18(26(24-13)17-4-2-3-7-21-17)23-20(29)22-15-9-16(10-15)25(12-19(27)28)11-14-5-6-14/h2-4,7-8,14-16H,5-6,9-12H2,1H3,(H,27,28)(H2,22,23,29).
What are the key properties of 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 398.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122074801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).