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

C15H22N2O4 — CID 60827023

IUPAC2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCCN(C(=O)C2CC2)C1)C1CC1
InChIInChI=1S/C15H22N2O4/c18-13(19)9-17(12-5-6-12)15(21)11-2-1-7-16(8-11)14(20)10-3-4-10/h10-12H,1-9H2,(H,18,19)
InChIKeyXKOLYMKIUAUPGW-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.71
Rot. Bonds5

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

2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid (PubChem CID 60827023) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid
PubChem CID60827023
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCCN(C(=O)C2CC2)C1)C1CC1
InChIInChI=1S/C15H22N2O4/c18-13(19)9-17(12-5-6-12)15(21)11-2-1-7-16(8-11)14(20)10-3-4-10/h10-12H,1-9H2,(H,18,19)
InChIKeyXKOLYMKIUAUPGW-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
CID 60826561
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 119196915
1-(cyclopropanecarbonyl)-N,N-bis(2-hydroxyethyl)piperidine-3-carboxamide
CID 61233609
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-N-ethylpiperidine-3-carboxamide
CID 71931628
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 43573446
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid (CID 60827023) is 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)C1CCCN(C(=O)C2CC2)C1)C1CC1.
What is the InChIKey of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid?
The InChIKey is XKOLYMKIUAUPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13(19)9-17(12-5-6-12)15(21)11-2-1-7-16(8-11)14(20)10-3-4-10/h10-12H,1-9H2,(H,18,19).
What are the key properties of 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid?
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 60827023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).