trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

C17H24ClN3O2 — CID 125147471

About trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 125147471) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
• PubChem CID: 125147471
• Molecular Formula: C17H24ClN3O2
• Molecular Weight: 337.85 g/mol
• Exact Mass: 337.16
• IUPAC Name: trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
• SMILES: COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]2CCC[C@@H]2N)C1
• InChI: InChI=1S/C17H24ClN3O2/c1-23-16-6-5-11(18)9-15(16)21-8-7-12(10-21)20-17(22)13-3-2-4-14(13)19/h5-6,9,12-14H,2-4,7-8,10,19H2,1H3,(H,20,22)/t12-,13-,14-/m0/s1
• InChIKey: ZYKPEEWFVGDANF-IHRRRGAJSA-N
• XLogP: 2.17
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.85
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 125147471) is trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]2CCC[C@@H]2N)C1.

What is the InChIKey of trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?

The InChIKey is ZYKPEEWFVGDANF-IHRRRGAJSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-23-16-6-5-11(18)9-15(16)21-8-7-12(10-21)20-17(22)13-3-2-4-14(13)19/h5-6,9,12-14H,2-4,7-8,10,19H2,1H3,(H,20,22)/t12-,13-,14-/m0/s1.

What are the key properties of trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?

trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 125147471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).