2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid

C15H21ClN2O3 — CID 79263016

IUPAC2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)18(10-14(20)21)9-13(19)17-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyQVRPJKDOPJNSAA-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.14
Rot. Bonds6

About 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid

2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid (PubChem CID 79263016) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
PubChem CID79263016
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)18(10-14(20)21)9-13(19)17-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyQVRPJKDOPJNSAA-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821190
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582
2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid
CID 79268949
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064354
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid
CID 79269061
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid (CID 79263016) is 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The InChIKey is QVRPJKDOPJNSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,3)18(10-14(20)21)9-13(19)17-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid has a molecular weight of 312.80 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 79263016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).