(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid

C6H9NO3 — CID 46188742

IUPAC(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C=CCO1
InChIInChI=1S/C6H9NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPACBOIYQPQYGQE-WHFBIAKZSA-N
MW143.14 g/mol
LogP-0.65
Rot. Bonds2

About (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid

(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid (PubChem CID 46188742) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
PubChem CID46188742
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C=CCO1
InChIInChI=1S/C6H9NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPACBOIYQPQYGQE-WHFBIAKZSA-N
XLogP-0.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-(2,2-dimethylpropanoylamino)acetic acid
CID 46189630
3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
CID 53417326
1-(2,5-dihydrofuran-2-yl)ethanone
CID 175402155
[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate
CID 68511625
N,N-di(propan-2-yl)-2,5-dihydrofuran-2-carboxamide
CID 10535936
2-amino-2-(2-methylcyclopentyl)acetic acid
CID 4308805
(3S,4R,5R)-1-(2,5-dihydrofuran-2-yl)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 91546375
2-amino-2-(5-methyloxolan-3-yl)acetic acid
CID 170558301
(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid
CID 24820118
(2S)-2-amino-2-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 124525084
benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid
CID 67049065
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid (CID 46188742) is (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid is N[C@H](C(=O)O)[C@@H]1C=CCO1.
What is the InChIKey of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
The InChIKey is PACBOIYQPQYGQE-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid is sourced from PubChem (CID 46188742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).