trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

C16H22BrN3O — CID 124700001

IUPACtrans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1
InChIInChI=1S/C16H22BrN3O/c17-14-3-1-2-4-15(14)20-8-7-13(10-20)19-16(21)11-5-6-12(18)9-11/h1-4,11-13H,5-10,18H2,(H,19,21)/t11-,12-,13-/m1/s1
InChIKeyLIJHREQPZWMHCS-JHJVBQTASA-N
MW352.28 g/mol
LogP2.27
Rot. Bonds3

About trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 124700001) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID124700001
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Nametrans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1
InChIInChI=1S/C16H22BrN3O/c17-14-3-1-2-4-15(14)20-8-7-13(10-20)19-16(21)11-5-6-12(18)9-11/h1-4,11-13H,5-10,18H2,(H,19,21)/t11-,12-,13-/m1/s1
InChIKeyLIJHREQPZWMHCS-JHJVBQTASA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119876240
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119884424
3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
CID 119899423
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670298
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
(3S)-1-(2-bromophenyl)pyrrolidin-3-amine
CID 51663672
N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119884413
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 124700001) is trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is N[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1.
What is the InChIKey of trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is LIJHREQPZWMHCS-JHJVBQTASA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-14-3-1-2-4-15(14)20-8-7-13(10-20)19-16(21)11-5-6-12(18)9-11/h1-4,11-13H,5-10,18H2,(H,19,21)/t11-,12-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124700001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).