2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid

C16H26N4O3 — CID 129005236

IUPAC2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2cc(CC(C)C)[nH]n2)C1
InChIInChI=1S/C16H26N4O3/c1-4-20(9-15(21)22)13-6-11(7-13)17-16(23)14-8-12(18-19-14)5-10(2)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,23)(H,18,19)(H,21,22)
InChIKeyPSINAOCRNFURPB-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.28
Rot. Bonds8

About 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 129005236) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid
PubChem CID129005236
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2cc(CC(C)C)[nH]n2)C1
InChIInChI=1S/C16H26N4O3/c1-4-20(9-15(21)22)13-6-11(7-13)17-16(23)14-8-12(18-19-14)5-10(2)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,23)(H,18,19)(H,21,22)
InChIKeyPSINAOCRNFURPB-UHFFFAOYSA-N
XLogP1.28
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004037
2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122111308
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 129001536
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 167802867
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 125433778
2-[ethyl-[3-(1-methylsulfanylpropan-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002901
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-[[1-(3-fluorophenyl)propan-2-yl-methylcarbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026375
2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid (CID 129005236) is 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)c2cc(CC(C)C)[nH]n2)C1.
What is the InChIKey of 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is PSINAOCRNFURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-20(9-15(21)22)13-6-11(7-13)17-16(23)14-8-12(18-19-14)5-10(2)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,23)(H,18,19)(H,21,22).
What are the key properties of 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129005236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).