2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid

C12H20N2O3 — CID 63005463

IUPAC2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCNC1)C1CCCC1
InChIInChI=1S/C12H20N2O3/c15-11(16)8-14(10-3-1-2-4-10)12(17)9-5-6-13-7-9/h9-10,13H,1-8H2,(H,15,16)
InChIKeyPRBUZIPCWFRPSP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds4

About 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid

2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 63005463) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID63005463
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCNC1)C1CCCC1
InChIInChI=1S/C12H20N2O3/c15-11(16)8-14(10-3-1-2-4-10)12(17)9-5-6-13-7-9/h9-10,13H,1-8H2,(H,15,16)
InChIKeyPRBUZIPCWFRPSP-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
CID 81141373
N-cyclopentyl-N-ethylpyrrolidine-3-carboxamide;hydrochloride
CID 119722120
2-[cyclopentyl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159569
2-[cyclopentyl(piperidine-2-carbonyl)amino]acetic acid
CID 61159763
2-[cyclopentyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913615
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
N-butyl-N-cyclopropylpyrrolidine-3-carboxamide
CID 63005582
3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
CID 81128987

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid (CID 63005463) is 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1CCNC1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is PRBUZIPCWFRPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)8-14(10-3-1-2-4-10)12(17)9-5-6-13-7-9/h9-10,13H,1-8H2,(H,15,16).
What are the key properties of 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid?
2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63005463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).