(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide

C14H20BrN3O — CID 119860635

IUPAC(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O/c1-10(16)14(19)17-8-11-6-7-18(9-11)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9,16H2,1H3,(H,17,19)/t10-,11?/m1/s1
InChIKeyALFIYNZJAXBIJL-NFJWQWPMSA-N
MW326.24 g/mol
LogP1.74
Rot. Bonds4

About (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide

(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 119860635) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID119860635
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O/c1-10(16)14(19)17-8-11-6-7-18(9-11)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9,16H2,1H3,(H,17,19)/t10-,11?/m1/s1
InChIKeyALFIYNZJAXBIJL-NFJWQWPMSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119860636
2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 119860603
(2R)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119898744
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981718
1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860624
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
3-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119860620
2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120669772
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide (CID 119860635) is (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide is C[C@@H](N)C(=O)NCC1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is ALFIYNZJAXBIJL-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10(16)14(19)17-8-11-6-7-18(9-11)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9,16H2,1H3,(H,17,19)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide?
(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 326.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 119860635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).