furan-2-yl (2S)-2-amino-3-methylbutanoate

C9H13NO3 — CID 90119551

IUPACfuran-2-yl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C9H13NO3/c1-6(2)8(10)9(11)13-7-4-3-5-12-7/h3-6,8H,10H2,1-2H3/t8-/m0/s1
InChIKeyLVGCGGKAYKMPOP-QMMMGPOBSA-N
MW183.21 g/mol
LogP1.17
Rot. Bonds3

About furan-2-yl (2S)-2-amino-3-methylbutanoate

furan-2-yl (2S)-2-amino-3-methylbutanoate (PubChem CID 90119551) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is furan-2-yl (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Namefuran-2-yl (2S)-2-amino-3-methylbutanoate
PubChem CID90119551
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namefuran-2-yl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C9H13NO3/c1-6(2)8(10)9(11)13-7-4-3-5-12-7/h3-6,8H,10H2,1-2H3/t8-/m0/s1
InChIKeyLVGCGGKAYKMPOP-QMMMGPOBSA-N
XLogP1.17
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl (2S)-2-aminopropanoate
CID 69522243
2-(3-Methylbutoxy)furan
CID 12464306
2-(2'Dimethylaminoethoxy}furan
CID 129660753
Furan-2-yl 2-methylbutanoate
CID 54136834
Furan-2-yl 2-aminoacetate
CID 54423798
(2S)-2-amino-3-methylbutanoic acid;furan
CID 70070413
furan-2-yl (2R)-2-amino-3-sulfanylpropanoate
CID 90119423
2-Amino-4-methylpentanoic acid;furan-2-ol
CID 90119433
furan-2-yl (2S)-2-amino-4-methylpentanoate
CID 90119434
(2S)-2-amino-4-methylpentanoic acid;furan-2-ol
CID 90119436
2-Aminobutanedioic acid;furan-2-ol
CID 90119464
bis(furan-2-yl) (2S)-2-aminobutanedioate
CID 90119465

Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2S)-2-amino-3-methylbutanoate?
The IUPAC name of furan-2-yl (2S)-2-amino-3-methylbutanoate (CID 90119551) is furan-2-yl (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for furan-2-yl (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for furan-2-yl (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl (2S)-2-amino-3-methylbutanoate?
The InChIKey is LVGCGGKAYKMPOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)8(10)9(11)13-7-4-3-5-12-7/h3-6,8H,10H2,1-2H3/t8-/m0/s1.
What are the key properties of furan-2-yl (2S)-2-amino-3-methylbutanoate?
furan-2-yl (2S)-2-amino-3-methylbutanoate has a molecular weight of 183.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 90119551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).