2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid

C13H23N3O3 — CID 55030286

IUPAC2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid
SMILESNCC1CCN(C(=O)N(CC(=O)O)C2CCCC2)C1
InChIInChI=1S/C13H23N3O3/c14-7-10-5-6-15(8-10)13(19)16(9-12(17)18)11-3-1-2-4-11/h10-11H,1-9,14H2,(H,17,18)
InChIKeyIGSAVFFTOISUIJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.72
Rot. Bonds4

About 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid

2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid (PubChem CID 55030286) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid
PubChem CID55030286
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid
SMILESNCC1CCN(C(=O)N(CC(=O)O)C2CCCC2)C1
InChIInChI=1S/C13H23N3O3/c14-7-10-5-6-15(8-10)13(19)16(9-12(17)18)11-3-1-2-4-11/h10-11H,1-9,14H2,(H,17,18)
InChIKeyIGSAVFFTOISUIJ-UHFFFAOYSA-N
XLogP0.72
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-(3-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61200673
2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid
CID 113418208
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
2-[cyclopropyl-(4-propylpiperidine-1-carbonyl)amino]acetic acid
CID 62206678
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid
CID 62966758
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
2-[1-[cyclopentyl(ethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691355
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119485245

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid?
The IUPAC name of 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid (CID 55030286) is 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid is NCC1CCN(C(=O)N(CC(=O)O)C2CCCC2)C1.
What is the InChIKey of 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid?
The InChIKey is IGSAVFFTOISUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-7-10-5-6-15(8-10)13(19)16(9-12(17)18)11-3-1-2-4-11/h10-11H,1-9,14H2,(H,17,18).
What are the key properties of 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid?
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid is sourced from PubChem (CID 55030286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).