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

C16H27N3O4 — CID 75418047

IUPAC2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
SMILESCCN(CC)C(=O)N1CCCC(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C16H27N3O4/c1-3-17(4-2)16(23)18-9-5-6-12(10-18)15(22)19(11-14(20)21)13-7-8-13/h12-13H,3-11H2,1-2H3,(H,20,21)
InChIKeyOVVXHWYMOIBGNR-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.24
Rot. Bonds6

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

2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid (PubChem CID 75418047) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
PubChem CID75418047
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
SMILESCCN(CC)C(=O)N1CCCC(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C16H27N3O4/c1-3-17(4-2)16(23)18-9-5-6-12(10-18)15(22)19(11-14(20)21)13-7-8-13/h12-13H,3-11H2,1-2H3,(H,20,21)
InChIKeyOVVXHWYMOIBGNR-UHFFFAOYSA-N
XLogP1.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 60827023
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
(3S)-1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126397
(3R)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120005

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid (CID 75418047) is 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid is CCN(CC)C(=O)N1CCCC(C(=O)N(CC(=O)O)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid?
The InChIKey is OVVXHWYMOIBGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-3-17(4-2)16(23)18-9-5-6-12(10-18)15(22)19(11-14(20)21)13-7-8-13/h12-13H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid?
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 75418047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).