2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid

C15H19BrN2O4 — CID 119197902

IUPAC2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid
SMILESCCNC(=O)CCCC(=O)NC(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O4/c1-2-17-12(19)4-3-5-13(20)18-14(15(21)22)10-6-8-11(16)9-7-10/h6-9,14H,2-5H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeySEZSLPWQWOHAQZ-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.00
Rot. Bonds8

About 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid

2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid (PubChem CID 119197902) has the molecular formula C15H19BrN2O4 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid
PubChem CID119197902
Molecular FormulaC15H19BrN2O4
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Name2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid
SMILESCCNC(=O)CCCC(=O)NC(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O4/c1-2-17-12(19)4-3-5-13(20)18-14(15(21)22)10-6-8-11(16)9-7-10/h6-9,14H,2-5H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeySEZSLPWQWOHAQZ-UHFFFAOYSA-N
XLogP2.00
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic 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

2-(4-bromophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82095243
2-(4-bromophenyl)-2-[(2-butoxyacetyl)amino]acetic acid
CID 119197860
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-(4-bromophenyl)-2-[(2-tert-butylsulfanylacetyl)amino]acetic acid
CID 119197832
N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide
CID 2526890
(2S)-2-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-phenylacetic acid
CID 166385936
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
2-(4-bromophenyl)-2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid
CID 119197817
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
3-(4-bromophenyl)-3-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 119188757
(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61203429

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid (CID 119197902) is 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid is CCNC(=O)CCCC(=O)NC(C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid?
The InChIKey is SEZSLPWQWOHAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4/c1-2-17-12(19)4-3-5-13(20)18-14(15(21)22)10-6-8-11(16)9-7-10/h6-9,14H,2-5H2,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid?
2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid has a molecular weight of 371.23 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 119197902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).