(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide

C11H13Cl2N3O — CID 113282412

IUPAC(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
SMILESN[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H13Cl2N3O/c12-7-1-2-9(13)10(5-7)15-11(17)16-4-3-8(14)6-16/h1-2,5,8H,3-4,6,14H2,(H,15,17)/t8-/m0/s1
InChIKeyATZDQFOOINLFEI-QMMMGPOBSA-N
MW274.15 g/mol
LogP2.56
Rot. Bonds1

About (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide

(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide (PubChem CID 113282412) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
PubChem CID113282412
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
SMILESN[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H13Cl2N3O/c12-7-1-2-9(13)10(5-7)15-11(17)16-4-3-8(14)6-16/h1-2,5,8H,3-4,6,14H2,(H,15,17)/t8-/m0/s1
InChIKeyATZDQFOOINLFEI-QMMMGPOBSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-bromobenzoic acid
CID 55029999
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide (CID 113282412) is (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide is N[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is ATZDQFOOINLFEI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c12-7-1-2-9(13)10(5-7)15-11(17)16-4-3-8(14)6-16/h1-2,5,8H,3-4,6,14H2,(H,15,17)/t8-/m0/s1.
What are the key properties of (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide?
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 274.15 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 113282412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).