2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

C17H24N4O3 — CID 122094279

IUPAC2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(C3CC3)n2)C1
InChIInChI=1S/C17H24N4O3/c1-2-21(10-16(22)23)13-8-12(9-13)18-17(24)20-15-5-3-4-14(19-15)11-6-7-11/h3-5,11-13H,2,6-10H2,1H3,(H,22,23)(H2,18,19,20,24)
InChIKeyBIGZUZIPCXHWLP-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.02
Rot. Bonds7

About 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122094279) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122094279
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(C3CC3)n2)C1
InChIInChI=1S/C17H24N4O3/c1-2-21(10-16(22)23)13-8-12(9-13)18-17(24)20-15-5-3-4-14(19-15)11-6-7-11/h3-5,11-13H,2,6-10H2,1H3,(H,22,23)(H2,18,19,20,24)
InChIKeyBIGZUZIPCXHWLP-UHFFFAOYSA-N
XLogP2.02
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089391
2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093415
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122086987
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122089023
2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[[3-(1-benzothiophen-7-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122087496
2-[[3-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075721
2-[ethyl-[3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084823
2-[ethyl-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089582

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122094279) is 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2cccc(C3CC3)n2)C1.
What is the InChIKey of 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is BIGZUZIPCXHWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-21(10-16(22)23)13-8-12(9-13)18-17(24)20-15-5-3-4-14(19-15)11-6-7-11/h3-5,11-13H,2,6-10H2,1H3,(H,22,23)(H2,18,19,20,24).
What are the key properties of 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122094279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).