2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid

C11H13ClN2O3 — CID 107440102

IUPAC2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-4-2-1-3-8(9)5-14(6-10(13)15)7-11(16)17/h1-4H,5-7H2,(H2,13,15)(H,16,17)
InChIKeyNUWLNEXSLZKWOZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.71
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid (PubChem CID 107440102) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
PubChem CID107440102
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-4-2-1-3-8(9)5-14(6-10(13)15)7-11(16)17/h1-4H,5-7H2,(H2,13,15)(H,16,17)
InChIKeyNUWLNEXSLZKWOZ-UHFFFAOYSA-N
XLogP0.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
CID 107440608
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440320
2-[(3-chloro-2-fluorophenyl)methyl-ethylamino]acetic acid
CID 114489081
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
3-[(2-chlorophenyl)methyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329777
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368
3-[(2-chlorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 82328005
2-[[3-[[bis(carboxymethyl)amino]methyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 5242005
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid (CID 107440102) is 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid is NC(=O)CN(CC(=O)O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid?
The InChIKey is NUWLNEXSLZKWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-4-2-1-3-8(9)5-14(6-10(13)15)7-11(16)17/h1-4H,5-7H2,(H2,13,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid has a molecular weight of 256.69 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 107440102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).