(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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Related Compounds

(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
(2S)-2-[[(1R,2S,3R,4R)-1-(furan-2-yl)-2,3,4,5-tetrahydroxypentyl]amino]butanoic acid
CID 59083594
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55003505
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
2-(3,4-dihydroxyanilino)-3-hydroxypropanoic acid
CID 18679638
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324
2-(furan-2-yl)propanedioic acid
CID 19790856
(2S)-3-hydroxy-2-(phenylsulfanylamino)propanoic acid
CID 87691246

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).