1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

C15H27N3O3 — CID 115433973

IUPAC1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN1CCCC1CNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H27N3O3/c1-2-18-9-5-6-12(18)10-16-14(21)17-11-15(13(19)20)7-3-4-8-15/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyXAKFQHKMTAOJHX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds6

About 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433973) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433973
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN1CCCC1CNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H27N3O3/c1-2-18-9-5-6-12(18)10-16-14(21)17-11-15(13(19)20)7-3-4-8-15/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyXAKFQHKMTAOJHX-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 64890817
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145708
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976
1-[(thian-2-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115434461
6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447348
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63138600

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433973) is 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is CCN1CCCC1CNC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XAKFQHKMTAOJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-18-9-5-6-12(18)10-16-14(21)17-11-15(13(19)20)7-3-4-8-15/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).