(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

C18H30N4O2 — CID 98203475

IUPAC(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(CC1CCCC1)NCCNC(=O)N1CC[C@@H](N2CC=CC2)C1
InChIInChI=1S/C18H30N4O2/c23-17(13-15-5-1-2-6-15)19-8-9-20-18(24)22-12-7-16(14-22)21-10-3-4-11-21/h3-4,15-16H,1-2,5-14H2,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyVRVBNGKEJSALTF-MRXNPFEDSA-N
MW334.46 g/mol
LogP1.34
Rot. Bonds6

About (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 98203475) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
PubChem CID98203475
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(CC1CCCC1)NCCNC(=O)N1CC[C@@H](N2CC=CC2)C1
InChIInChI=1S/C18H30N4O2/c23-17(13-15-5-1-2-6-15)19-8-9-20-18(24)22-12-7-16(14-22)21-10-3-4-11-21/h3-4,15-16H,1-2,5-14H2,(H,19,23)(H,20,24)/t16-/m1/s1
InChIKeyVRVBNGKEJSALTF-MRXNPFEDSA-N
XLogP1.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 71922247
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 98203455
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
CID 98202993
N-[2-[[C-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111998188
3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 130666198
N-[2-(4-cyanophenoxy)ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71867864
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144324
(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
CID 96516498
3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 111470896
(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203831
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015576

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (CID 98203475) is (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is O=C(CC1CCCC1)NCCNC(=O)N1CC[C@@H](N2CC=CC2)C1.
What is the InChIKey of (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is VRVBNGKEJSALTF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O2/c23-17(13-15-5-1-2-6-15)19-8-9-20-18(24)22-12-7-16(14-22)21-10-3-4-11-21/h3-4,15-16H,1-2,5-14H2,(H,19,23)(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 98203475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).