2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid

C15H20N2O4 — CID 62088266

IUPAC2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid
SMILESCOC1CCCC1NC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-21-13-9-5-8-12(13)16-15(20)17(10-14(18)19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyYPSFKLSADXKZMP-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.85
Rot. Bonds5

About 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid

2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid (PubChem CID 62088266) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid
PubChem CID62088266
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid
SMILESCOC1CCCC1NC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-21-13-9-5-8-12(13)16-15(20)17(10-14(18)19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyYPSFKLSADXKZMP-UHFFFAOYSA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
CID 96541296
2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
CID 61185084
3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
CID 62088099
1,1-diethyl-3-(2-methoxycyclopentyl)urea
CID 115693925
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 114344265
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585
1-hydroxy-N-(2-methoxycyclopentyl)naphthalene-2-carboxamide
CID 62086836
2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
CID 61499192
2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
CID 102962941
2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid
CID 82728391
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid (CID 62088266) is 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid is COC1CCCC1NC(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid?
The InChIKey is YPSFKLSADXKZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-9-5-8-12(13)16-15(20)17(10-14(18)19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid?
2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 62088266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).