2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid

C17H29N3O3 — CID 128973904

IUPAC2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCN1CCC(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-19-6-4-13(5-7-19)17(23)18-14-8-15(9-14)20(11-16(21)22)10-12-2-3-12/h12-15H,2-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyPNXAITAELVJFMH-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.77
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 128973904) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
PubChem CID128973904
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCN1CCC(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-19-6-4-13(5-7-19)17(23)18-14-8-15(9-14)20(11-16(21)22)10-12-2-3-12/h12-15H,2-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyPNXAITAELVJFMH-UHFFFAOYSA-N
XLogP0.77
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]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-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 129343798
2-[cyclopropylmethyl-[3-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid
CID 129334460
2-[ethyl-[3-[[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025782
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071800
4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 115151158
2-[cyclopropylmethyl-[3-(3-pyrazol-1-ylpropanoylamino)cyclobutyl]amino]acetic acid
CID 167774042
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid (CID 128973904) is 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid is CN1CCC(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is PNXAITAELVJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-19-6-4-13(5-7-19)17(23)18-14-8-15(9-14)20(11-16(21)22)10-12-2-3-12/h12-15H,2-11H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 323.44 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 128973904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).