2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid

C18H19NO3 — CID 120543523

IUPAC2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
SMILESCC1(C)CC1C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO3/c1-18(2)10-14(18)16(20)19-15(17(21)22)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySEHGJCRCAHFMNM-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.13
Rot. Bonds4

About 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid

2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid (PubChem CID 120543523) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
PubChem CID120543523
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
SMILESCC1(C)CC1C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO3/c1-18(2)10-14(18)16(20)19-15(17(21)22)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySEHGJCRCAHFMNM-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543509
2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
CID 120543519
2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 120543427
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
CID 120543531
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 75508914
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid (CID 120543523) is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid is CC1(C)CC1C(=O)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid?
The InChIKey is SEHGJCRCAHFMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2)10-14(18)16(20)19-15(17(21)22)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid?
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid has a molecular weight of 297.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 120543523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).