(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid

C14H16BrNO3 — CID 119243849

IUPAC(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)C(=O)O
InChIInChI=1S/C14H16BrNO3/c1-9(12(17)18)16-13(19)14(7-2-8-14)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyXFDALNKGHUEBPZ-SECBINFHSA-N
MW326.19 g/mol
LogP2.46
Rot. Bonds4

About (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid

(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid (PubChem CID 119243849) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
PubChem CID119243849
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)C(=O)O
InChIInChI=1S/C14H16BrNO3/c1-9(12(17)18)16-13(19)14(7-2-8-14)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyXFDALNKGHUEBPZ-SECBINFHSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119369696
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467746
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
CID 55962698
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
(2R)-2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104906047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid (CID 119243849) is (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid is C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid?
The InChIKey is XFDALNKGHUEBPZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-9(12(17)18)16-13(19)14(7-2-8-14)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid?
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid has a molecular weight of 326.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119243849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).