1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H19N3O3 — CID 115451319

IUPAC1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESNC1CCN(C(=O)NCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C11H19N3O3/c12-8-1-5-14(6-2-8)10(17)13-7-11(3-4-11)9(15)16/h8H,1-7,12H2,(H,13,17)(H,15,16)
InChIKeyAQRAEOPKMOQIRC-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.02
Rot. Bonds3

About 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451319) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451319
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESNC1CCN(C(=O)NCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C11H19N3O3/c12-8-1-5-14(6-2-8)10(17)13-7-11(3-4-11)9(15)16/h8H,1-7,12H2,(H,13,17)(H,15,16)
InChIKeyAQRAEOPKMOQIRC-UHFFFAOYSA-N
XLogP-0.02
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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-(dimethylamino)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451277
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162804
1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451632
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312419
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020
1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446802
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
4-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440579

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115451319) is 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is NC1CCN(C(=O)NCC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is AQRAEOPKMOQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-8-1-5-14(6-2-8)10(17)13-7-11(3-4-11)9(15)16/h8H,1-7,12H2,(H,13,17)(H,15,16).
What are the key properties of 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).