2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid

C15H22N2O4 — CID 167826404

IUPAC2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CCCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C15H22N2O4/c18-12(19)8-15(5-6-15)16-13(20)11-2-1-7-17(9-11)14(21)10-3-4-10/h10-11H,1-9H2,(H,16,20)(H,18,19)
InChIKeyYTGLYESLVIDVND-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.76
Rot. Bonds5

About 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid

2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid (PubChem CID 167826404) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
PubChem CID167826404
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CCCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C15H22N2O4/c18-12(19)8-15(5-6-15)16-13(20)11-2-1-7-17(9-11)14(21)10-3-4-10/h10-11H,1-9H2,(H,16,20)(H,18,19)
InChIKeyYTGLYESLVIDVND-UHFFFAOYSA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981314
methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
CID 52514979
N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 119567885
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
1-(cyclopropanecarbonyl)-N-[(1-propylcyclopropyl)methyl]piperidine-3-carboxamide
CID 71919155
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107833948
1-acetyl-N-[1-(aminomethyl)cyclopentyl]piperidine-3-carboxamide
CID 119565447

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid (CID 167826404) is 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid is O=C(O)CC1(NC(=O)C2CCCN(C(=O)C3CC3)C2)CC1.
What is the InChIKey of 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid?
The InChIKey is YTGLYESLVIDVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-12(19)8-15(5-6-15)16-13(20)11-2-1-7-17(9-11)14(21)10-3-4-10/h10-11H,1-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid?
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid is sourced from PubChem (CID 167826404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).