2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid

C12H17NO3 — CID 65057867

IUPAC2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid
SMILESCCC(c1ccco1)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H17NO3/c1-2-10(11-4-3-7-16-11)13(8-12(14)15)9-5-6-9/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyIITIMZQEGFHPIM-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.28
Rot. Bonds6

About 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid

2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid (PubChem CID 65057867) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid
PubChem CID65057867
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid
SMILESCCC(c1ccco1)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H17NO3/c1-2-10(11-4-3-7-16-11)13(8-12(14)15)9-5-6-9/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyIITIMZQEGFHPIM-UHFFFAOYSA-N
XLogP2.28
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid (CID 65057867) is 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid is CCC(c1ccco1)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid?
The InChIKey is IITIMZQEGFHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-10(11-4-3-7-16-11)13(8-12(14)15)9-5-6-9/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid?
2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid is sourced from PubChem (CID 65057867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).