(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide

C16H24BrN3O — CID 119884424

IUPAC(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(c2ccccc2Br)C1
InChIInChI=1S/C16H24BrN3O/c1-11(2)9-14(18)16(21)19-12-7-8-20(10-12)15-6-4-3-5-13(15)17/h3-6,11-12,14H,7-10,18H2,1-2H3,(H,19,21)/t12?,14-/m0/s1
InChIKeyVLGHZHKRQPQLIH-PYMCNQPYSA-N
MW354.29 g/mol
LogP2.52
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide

(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide (PubChem CID 119884424) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
PubChem CID119884424
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(c2ccccc2Br)C1
InChIInChI=1S/C16H24BrN3O/c1-11(2)9-14(18)16(21)19-12-7-8-20(10-12)15-6-4-3-5-13(15)17/h3-6,11-12,14H,7-10,18H2,1-2H3,(H,19,21)/t12?,14-/m0/s1
InChIKeyVLGHZHKRQPQLIH-PYMCNQPYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670298
(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
1-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 96523423
2-[[[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041328
(2S)-2-amino-N-[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 50997706
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
2-[[N-[1-(2-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119150786
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide (CID 119884424) is (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1CCN(c2ccccc2Br)C1.
What is the InChIKey of (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide?
The InChIKey is VLGHZHKRQPQLIH-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11(2)9-14(18)16(21)19-12-7-8-20(10-12)15-6-4-3-5-13(15)17/h3-6,11-12,14H,7-10,18H2,1-2H3,(H,19,21)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide has a molecular weight of 354.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 119884424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).