(2S)-2-(furan-3-ylamino)propanoic acid

C7H9NO3 — CID 22875442

IUPAC(2S)-2-(furan-3-ylamino)propanoic acid
SMILESC[C@H](Nc1ccoc1)C(=O)O
InChIInChI=1S/C7H9NO3/c1-5(7(9)10)8-6-2-3-11-4-6/h2-5,8H,1H3,(H,9,10)/t5-/m0/s1
InChIKeyHKZCDMUOAAWVBO-YFKPBYRVSA-N
MW155.15 g/mol
LogP1.16
Rot. Bonds3

About (2S)-2-(furan-3-ylamino)propanoic acid

(2S)-2-(furan-3-ylamino)propanoic acid (PubChem CID 22875442) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2S)-2-(furan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(furan-3-ylamino)propanoic acid
PubChem CID22875442
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2S)-2-(furan-3-ylamino)propanoic acid
SMILESC[C@H](Nc1ccoc1)C(=O)O
InChIInChI=1S/C7H9NO3/c1-5(7(9)10)8-6-2-3-11-4-6/h2-5,8H,1H3,(H,9,10)/t5-/m0/s1
InChIKeyHKZCDMUOAAWVBO-YFKPBYRVSA-N
XLogP1.16
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-3-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(furan-3-ylamino)propanoic acid (CID 22875442) is (2S)-2-(furan-3-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(furan-3-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(furan-3-ylamino)propanoic acid is C[C@H](Nc1ccoc1)C(=O)O.
What is the InChIKey of (2S)-2-(furan-3-ylamino)propanoic acid?
The InChIKey is HKZCDMUOAAWVBO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(7(9)10)8-6-2-3-11-4-6/h2-5,8H,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-(furan-3-ylamino)propanoic acid?
(2S)-2-(furan-3-ylamino)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-3-ylamino)propanoic acid is sourced from PubChem (CID 22875442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).