2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid

C15H19ClN2O3 — CID 62695230

IUPAC2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H19ClN2O3/c1-18(9-10-3-2-4-12(16)7-10)13(19)8-17-14(15(20)21)11-5-6-11/h2-4,7,11,14,17H,5-6,8-9H2,1H3,(H,20,21)
InChIKeySBODFFRGVAWVKI-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.75
Rot. Bonds7

About 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62695230) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62695230
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H19ClN2O3/c1-18(9-10-3-2-4-12(16)7-10)13(19)8-17-14(15(20)21)11-5-6-11/h2-4,7,11,14,17H,5-6,8-9H2,1H3,(H,20,21)
InChIKeySBODFFRGVAWVKI-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid
CID 62694882
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
(2S)-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-3-cyclohexylpropanoic acid
CID 156884066
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18112585
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
2-amino-3-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385516
4-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302188
(2R)-4-amino-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826598
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
(2S)-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61417413

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62695230) is 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid is CN(Cc1cccc(Cl)c1)C(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is SBODFFRGVAWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-18(9-10-3-2-4-12(16)7-10)13(19)8-17-14(15(20)21)11-5-6-11/h2-4,7,11,14,17H,5-6,8-9H2,1H3,(H,20,21).
What are the key properties of 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 310.78 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).