1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid

C18H17ClN2O4 — CID 166277041

IUPAC1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)C(=O)Nc1cc2ccccc2cc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-13-8-11-4-1-2-5-12(11)9-14(13)21-16(23)15(22)20-10-18(17(24)25)6-3-7-18/h1-2,4-5,8-9H,3,6-7,10H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyZENPFSCTXQJYNV-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.80
Rot. Bonds4

About 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 166277041) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID166277041
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)C(=O)Nc1cc2ccccc2cc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-13-8-11-4-1-2-5-12(11)9-14(13)21-16(23)15(22)20-10-18(17(24)25)6-3-7-18/h1-2,4-5,8-9H,3,6-7,10H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyZENPFSCTXQJYNV-UHFFFAOYSA-N
XLogP2.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[[(2,5-dichloro-4-methylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 104727751
1-[[(2,3-dichlorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446379
1-[[[2-(2-chlorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362454
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433938
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138
1-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445346
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
1-[[(2-aminophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436780
1-[[(4-bromo-2,6-dichlorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446329
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 166277041) is 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)C(=O)Nc1cc2ccccc2cc1Cl.
What is the InChIKey of 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZENPFSCTXQJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-13-8-11-4-1-2-5-12(11)9-14(13)21-16(23)15(22)20-10-18(17(24)25)6-3-7-18/h1-2,4-5,8-9H,3,6-7,10H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 360.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-[(3-chloronaphthalen-2-yl)amino]-2-oxoacetyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166277041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).