N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide

C12H17N3O — CID 69352252

IUPACN-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccc(N)cc2)CCNC1
InChIInChI=1S/C12H17N3O/c1-9(16)15-12(6-7-14-8-12)10-2-4-11(13)5-3-10/h2-5,14H,6-8,13H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRPNNHVDDHXLBCY-GFCCVEGCSA-N
MW219.29 g/mol
LogP0.59
Rot. Bonds2

About N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide

N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide (PubChem CID 69352252) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide
PubChem CID69352252
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccc(N)cc2)CCNC1
InChIInChI=1S/C12H17N3O/c1-9(16)15-12(6-7-14-8-12)10-2-4-11(13)5-3-10/h2-5,14H,6-8,13H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRPNNHVDDHXLBCY-GFCCVEGCSA-N
XLogP0.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide (CID 69352252) is N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@]1(c2ccc(N)cc2)CCNC1.
What is the InChIKey of N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is RPNNHVDDHXLBCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(16)15-12(6-7-14-8-12)10-2-4-11(13)5-3-10/h2-5,14H,6-8,13H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide?
N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 69352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).