(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid

C11H16N2O3 — CID 129366754

IUPAC(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid
SMILESN[C@H](Cc1ccc(N2CCCC2)o1)C(=O)O
InChIInChI=1S/C11H16N2O3/c12-9(11(14)15)7-8-3-4-10(16-8)13-5-1-2-6-13/h3-4,9H,1-2,5-7,12H2,(H,14,15)/t9-/m1/s1
InChIKeyUUHROTWGWDKOOA-SECBINFHSA-N
MW224.26 g/mol
LogP0.83
Rot. Bonds4

About (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid

(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid (PubChem CID 129366754) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid
PubChem CID129366754
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid
SMILESN[C@H](Cc1ccc(N2CCCC2)o1)C(=O)O
InChIInChI=1S/C11H16N2O3/c12-9(11(14)15)7-8-3-4-10(16-8)13-5-1-2-6-13/h3-4,9H,1-2,5-7,12H2,(H,14,15)/t9-/m1/s1
InChIKeyUUHROTWGWDKOOA-SECBINFHSA-N
XLogP0.83
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
CID 170883928
(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid
CID 129366758
1-(5-ethylfuran-2-yl)piperidine
CID 137390727
2-amino-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanoic acid
CID 170879305
2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 117454603
(1R)-1-(5-piperidin-1-ylfuran-2-yl)ethanamine
CID 55276055
2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid
CID 170880009
2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid
CID 170879752
1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone
CID 82375805
(2R)-2-amino-3-(1,2-oxazol-5-yl)propanoic acid
CID 93495290
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
3-(2-amino-2-carboxyethyl)-7-chloro-1-benzofuran-2-carboxylic acid
CID 15324757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid (CID 129366754) is (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid is N[C@H](Cc1ccc(N2CCCC2)o1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid?
The InChIKey is UUHROTWGWDKOOA-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-9(11(14)15)7-8-3-4-10(16-8)13-5-1-2-6-13/h3-4,9H,1-2,5-7,12H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid?
(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid is sourced from PubChem (CID 129366754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).