2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid

C16H15NO3 — CID 119350067

IUPAC2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CC1c1cccc2ccccc12
InChIInChI=1S/C16H15NO3/c18-15(19)9-17-16(20)14-8-13(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2,(H,17,20)(H,18,19)
InChIKeyLINJNCPCFGBURN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.14
Rot. Bonds4

About 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid

2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid (PubChem CID 119350067) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
PubChem CID119350067
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CC1c1cccc2ccccc12
InChIInChI=1S/C16H15NO3/c18-15(19)9-17-16(20)14-8-13(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2,(H,17,20)(H,18,19)
InChIKeyLINJNCPCFGBURN-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119409122
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 97084371
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 95157526
2-naphthalen-1-yl-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide
CID 71932261
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 71932285
2-naphthalen-1-yl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119454446
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 120891654
2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide
CID 97066219
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119348048
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073

Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid (CID 119350067) is 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid is O=C(O)CNC(=O)C1CC1c1cccc2ccccc12.
What is the InChIKey of 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
The InChIKey is LINJNCPCFGBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(19)9-17-16(20)14-8-13(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 119350067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).