methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate

C15H14BrNO3 — CID 66701306

IUPACmethyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C15H14BrNO3/c1-9(15(19)20-2)17-14(18)12-8-7-10-5-3-4-6-11(10)13(12)16/h3-9H,1-2H3,(H,17,18)
InChIKeyLLAKTTUWILQNQN-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate

methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate (PubChem CID 66701306) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
PubChem CID66701306
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Namemethyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C15H14BrNO3/c1-9(15(19)20-2)17-14(18)12-8-7-10-5-3-4-6-11(10)13(12)16/h3-9H,1-2H3,(H,17,18)
InChIKeyLLAKTTUWILQNQN-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
CID 10044629
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate (CID 66701306) is methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc2ccccc2c1Br.
What is the InChIKey of methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate?
The InChIKey is LLAKTTUWILQNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-9(15(19)20-2)17-14(18)12-8-7-10-5-3-4-6-11(10)13(12)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate?
methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate has a molecular weight of 336.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate is sourced from PubChem (CID 66701306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).