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

C7H9NO4 — CID 504251

IUPAC(2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)Nc1ccco1
InChIInChI=1S/C7H9NO4/c9-4-5(7(10)11)8-6-2-1-3-12-6/h1-3,5,8-9H,4H2,(H,10,11)/t5-/m0/s1
InChIKeyJJRNTGNTJHYEHG-YFKPBYRVSA-N
MW171.15 g/mol
LogP0.14
Rot. Bonds4

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

(2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid (PubChem CID 504251) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid
PubChem CID504251
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name(2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)Nc1ccco1
InChIInChI=1S/C7H9NO4/c9-4-5(7(10)11)8-6-2-1-3-12-6/h1-3,5,8-9H,4H2,(H,10,11)/t5-/m0/s1
InChIKeyJJRNTGNTJHYEHG-YFKPBYRVSA-N
XLogP0.14
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid (CID 504251) is (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid is O=C(O)[C@H](CO)Nc1ccco1.
What is the InChIKey of (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid?
The InChIKey is JJRNTGNTJHYEHG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO4/c9-4-5(7(10)11)8-6-2-1-3-12-6/h1-3,5,8-9H,4H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid?
(2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid has a molecular weight of 171.15 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 504251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).