2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid

C15H19BrN2O3 — CID 62695427

IUPAC2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(NC(=O)CNC(C(=O)O)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-9(10-4-6-12(16)7-5-10)18-13(19)8-17-14(15(20)21)11-2-3-11/h4-7,9,11,14,17H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyDLASKRQRWOLGRA-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.08
Rot. Bonds7

About 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62695427) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62695427
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(NC(=O)CNC(C(=O)O)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-9(10-4-6-12(16)7-5-10)18-13(19)8-17-14(15(20)21)11-2-3-11/h4-7,9,11,14,17H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyDLASKRQRWOLGRA-UHFFFAOYSA-N
XLogP2.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099946
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-cyclooctylazanium
CID 9265234
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307629
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62695427) is 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid is CC(NC(=O)CNC(C(=O)O)C1CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is DLASKRQRWOLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9(10-4-6-12(16)7-5-10)18-13(19)8-17-14(15(20)21)11-2-3-11/h4-7,9,11,14,17H,2-3,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 355.23 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).