1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C14H23N3O3 — CID 115451632

IUPAC1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H23N3O3/c18-12(19)14(4-5-14)10-15-13(20)17-8-3-11(9-17)16-6-1-2-7-16/h11H,1-10H2,(H,15,20)(H,18,19)
InChIKeyYYHZVXYKBGPULS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.73
Rot. Bonds4

About 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451632) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451632
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H23N3O3/c18-12(19)14(4-5-14)10-15-13(20)17-8-3-11(9-17)16-6-1-2-7-16/h11H,1-10H2,(H,15,20)(H,18,19)
InChIKeyYYHZVXYKBGPULS-UHFFFAOYSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451548
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
1-[2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 63168585
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
1-[[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451775
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
1-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451731
1-[[[4-(dimethylamino)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451277
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115451632) is 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YYHZVXYKBGPULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-12(19)14(4-5-14)10-15-13(20)17-8-3-11(9-17)16-6-1-2-7-16/h11H,1-10H2,(H,15,20)(H,18,19).
What are the key properties of 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).