2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid

C12H17NO3 — CID 114987433

IUPAC2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid
SMILESCC(NCCc1ccco1)(C(=O)O)C1CC1
InChIInChI=1S/C12H17NO3/c1-12(11(14)15,9-4-5-9)13-7-6-10-3-2-8-16-10/h2-3,8-9,13H,4-7H2,1H3,(H,14,15)
InChIKeyYVYNKDOTPFPZQT-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.66
Rot. Bonds6

About 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid

2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid (PubChem CID 114987433) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid
PubChem CID114987433
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid
SMILESCC(NCCc1ccco1)(C(=O)O)C1CC1
InChIInChI=1S/C12H17NO3/c1-12(11(14)15,9-4-5-9)13-7-6-10-3-2-8-16-10/h2-3,8-9,13H,4-7H2,1H3,(H,14,15)
InChIKeyYVYNKDOTPFPZQT-UHFFFAOYSA-N
XLogP1.66
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43360356
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
2-(ethylamino)-N-[2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 62831566
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61197563
2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 54867947
2-cyclopropyl-1-(furan-2-yl)propan-2-ol
CID 83172016
N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
2-cyclopropyl-2-(furan-2-yl)propanoic acid
CID 83828151
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid (CID 114987433) is 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid is CC(NCCc1ccco1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid?
The InChIKey is YVYNKDOTPFPZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(11(14)15,9-4-5-9)13-7-6-10-3-2-8-16-10/h2-3,8-9,13H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid?
2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid is sourced from PubChem (CID 114987433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).