2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid

C12H15NO3 — CID 83838197

IUPAC2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid
SMILESO=C(O)CC1(NC2CC2)CCc2occc21
InChIInChI=1S/C12H15NO3/c14-11(15)7-12(13-8-1-2-8)5-3-10-9(12)4-6-16-10/h4,6,8,13H,1-3,5,7H2,(H,14,15)
InChIKeyPNWFNZSLZZLPJM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds4

About 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid

2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid (PubChem CID 83838197) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid
PubChem CID83838197
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid
SMILESO=C(O)CC1(NC2CC2)CCc2occc21
InChIInChI=1S/C12H15NO3/c14-11(15)7-12(13-8-1-2-8)5-3-10-9(12)4-6-16-10/h4,6,8,13H,1-3,5,7H2,(H,14,15)
InChIKeyPNWFNZSLZZLPJM-UHFFFAOYSA-N
XLogP1.65
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112715471
methyl 4-amino-5-methyl-6,7-dihydro-5H-1-benzofuran-4-carboxylate
CID 112716289
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556
4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466959
1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744
2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
CID 134161530
2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 134160606
2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
CID 119217146
2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
CID 84795332

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid?
The IUPAC name of 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid (CID 83838197) is 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid is O=C(O)CC1(NC2CC2)CCc2occc21.
What is the InChIKey of 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid?
The InChIKey is PNWFNZSLZZLPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(15)7-12(13-8-1-2-8)5-3-10-9(12)4-6-16-10/h4,6,8,13H,1-3,5,7H2,(H,14,15).
What are the key properties of 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid?
2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)-5,6-dihydrocyclopenta[b]furan-4-yl]acetic acid is sourced from PubChem (CID 83838197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).