2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid

C19H26N2O4 — CID 120523468

IUPAC2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCC1(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)CCCCCC1
InChIInChI=1S/C19H26N2O4/c1-19(10-4-2-3-5-11-19)18(25)21-15-8-6-14(7-9-15)12-16(22)20-13-17(23)24/h6-9H,2-5,10-13H2,1H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyLDQCRZBAPSJIQI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.73
Rot. Bonds6

About 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 120523468) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID120523468
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCC1(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)CCCCCC1
InChIInChI=1S/C19H26N2O4/c1-19(10-4-2-3-5-11-19)18(25)21-15-8-6-14(7-9-15)12-16(22)20-13-17(23)24/h6-9H,2-5,10-13H2,1H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyLDQCRZBAPSJIQI-UHFFFAOYSA-N
XLogP2.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224606
N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide
CID 171979242
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224346
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224522
N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 169204570
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
4-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 63121646
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid (CID 120523468) is 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid is CC1(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)CCCCCC1.
What is the InChIKey of 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is LDQCRZBAPSJIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(10-4-2-3-5-11-19)18(25)21-15-8-6-14(7-9-15)12-16(22)20-13-17(23)24/h6-9H,2-5,10-13H2,1H3,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 346.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 120523468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).