1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid

C14H25N3O3 — CID 61191761

IUPAC1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H25N3O3/c1-2-16-8-5-6-11(16)10-15-14(20)17-9-4-3-7-12(17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyUAMVTGPJMIVBFG-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.12
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 61191761) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID61191761
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H25N3O3/c1-2-16-8-5-6-11(16)10-15-14(20)17-9-4-3-7-12(17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyUAMVTGPJMIVBFG-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437712
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 107414526
CID 66737893
CID 66737893
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 61191761) is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid is CCN1CCCC1CNC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is UAMVTGPJMIVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-16-8-5-6-11(16)10-15-14(20)17-9-4-3-7-12(17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61191761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).