3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid

C11H12Cl2N2O3 — CID 59080868

IUPAC3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid
SMILESNCC(=O)NC(CC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O3/c12-7-1-6(2-8(13)3-7)9(4-11(17)18)15-10(16)5-14/h1-3,9H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyRHTXWSGZBASPNL-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.58
Rot. Bonds5

About 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid

3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid (PubChem CID 59080868) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid
PubChem CID59080868
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid
SMILESNCC(=O)NC(CC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O3/c12-7-1-6(2-8(13)3-7)9(4-11(17)18)15-10(16)5-14/h1-3,9H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyRHTXWSGZBASPNL-UHFFFAOYSA-N
XLogP1.58
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-aminoacetyl)amino]-3-(4-chloro-3-nitrophenyl)propanoic acid
CID 70067988
3-(3,5-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22608673
3-[[2-amino-2-(3,5-dichlorophenyl)acetyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 58143312
3-(3,5-dichlorophenyl)pentanedioic acid
CID 10678120
3-acetamido-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 114453726
3-[(2-aminoacetyl)amino]-3-[4-(4-fluoro-2-hydroxyphenyl)phenyl]propanoic acid
CID 141026137
3-[[2-[[2-carboxy-1-(3,5-dichlorophenyl)ethyl]amino]-2-oxoethyl]carbamoyl]-5-(diaminomethylideneamino)benzoic acid
CID 22608350
3-[(2-aminoacetyl)amino]-3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 57162274
3-[(2-aminoacetyl)amino]-3-quinolin-3-ylpropanoic acid
CID 70246115
(3S)-3-(3,5-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 93493201
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
N-[2-[[1-(3,5-dichlorophenyl)-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]-methylboronamidic acid
CID 20745136

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid?
The IUPAC name of 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid (CID 59080868) is 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid is NCC(=O)NC(CC(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid?
The InChIKey is RHTXWSGZBASPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c12-7-1-6(2-8(13)3-7)9(4-11(17)18)15-10(16)5-14/h1-3,9H,4-5,14H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid?
3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid has a molecular weight of 291.13 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid is sourced from PubChem (CID 59080868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).