2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide

C18H28N4O — CID 72838211

IUPAC2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(CC1CCCC1)N[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1C1CC1
InChIInChI=1S/C18H28N4O/c23-18(7-13-3-1-2-4-13)21-17-11-22(9-15-8-19-12-20-15)10-16(17)14-5-6-14/h8,12-14,16-17H,1-7,9-11H2,(H,19,20)(H,21,23)/t16-,17+/m1/s1
InChIKeyGURPOJLFKQFYSB-SJORKVTESA-N
MW316.45 g/mol
LogP2.32
Rot. Bonds6

About 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide

2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 72838211) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID72838211
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(CC1CCCC1)N[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1C1CC1
InChIInChI=1S/C18H28N4O/c23-18(7-13-3-1-2-4-13)21-17-11-22(9-15-8-19-12-20-15)10-16(17)14-5-6-14/h8,12-14,16-17H,1-7,9-11H2,(H,19,20)(H,21,23)/t16-,17+/m1/s1
InChIKeyGURPOJLFKQFYSB-SJORKVTESA-N
XLogP2.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide (CID 72838211) is 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide is O=C(CC1CCCC1)N[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1C1CC1.
What is the InChIKey of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is GURPOJLFKQFYSB-SJORKVTESA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(7-13-3-1-2-4-13)21-17-11-22(9-15-8-19-12-20-15)10-16(17)14-5-6-14/h8,12-14,16-17H,1-7,9-11H2,(H,19,20)(H,21,23)/t16-,17+/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide?
2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72838211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).