2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid

C15H21ClN2O2 — CID 122042459

IUPAC2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-18(10-15(19)20)14-7-13(8-14)17-9-11-3-5-12(16)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3,(H,19,20)
InChIKeyLOLJTZFVIVVERL-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds7

About 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042459) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042459
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-18(10-15(19)20)14-7-13(8-14)17-9-11-3-5-12(16)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3,(H,19,20)
InChIKeyLOLJTZFVIVVERL-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042403
2-[[3-[[4-(cyclopropylmethoxy)phenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042425
2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042830
2-[[3-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042559
2-[ethyl-[3-[(4-methoxy-3-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042229
2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042424
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[[3-[(2-chloro-6-ethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042412
2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042779
2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041968
2-[[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042316
2-[ethyl-[3-[(5-fluoro-2-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042676

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid (CID 122042459) is 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NCc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is LOLJTZFVIVVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-18(10-15(19)20)14-7-13(8-14)17-9-11-3-5-12(16)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3,(H,19,20).
What are the key properties of 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 296.80 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).