furan-2-yl (2S)-2-amino-4-methylpentanoate

C10H15NO3 — CID 90119434

IUPACfuran-2-yl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C10H15NO3/c1-7(2)6-8(11)10(12)14-9-4-3-5-13-9/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1
InChIKeyKCQCGZXHEXVOHY-QMMMGPOBSA-N
MW197.23 g/mol
LogP1.56
Rot. Bonds4

About furan-2-yl (2S)-2-amino-4-methylpentanoate

furan-2-yl (2S)-2-amino-4-methylpentanoate (PubChem CID 90119434) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is furan-2-yl (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Namefuran-2-yl (2S)-2-amino-4-methylpentanoate
PubChem CID90119434
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namefuran-2-yl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C10H15NO3/c1-7(2)6-8(11)10(12)14-9-4-3-5-13-9/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1
InChIKeyKCQCGZXHEXVOHY-QMMMGPOBSA-N
XLogP1.56
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl (2S)-2-aminopropanoate
CID 69522243
Furan-2-yl 2,4-dimethylpentanoate
CID 11998473
Furan-2-yl 2-aminoacetate
CID 54423798
Furan-2-yl 5-amino-2-methylidenepentanoate
CID 66939654
(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
(2S)-2-amino-4-methylpentanoic acid;furan-2-ol
CID 90119436
bis(furan-2-yl) (2S)-2-aminobutanedioate
CID 90119465
furan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
CID 90119470
furan-2-yl (2R)-2,5-diaminopentanoate
CID 90119495
furan-2-yl (2S)-2,4-diamino-4-oxobutanoate
CID 90119507

Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2S)-2-amino-4-methylpentanoate?
The IUPAC name of furan-2-yl (2S)-2-amino-4-methylpentanoate (CID 90119434) is furan-2-yl (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for furan-2-yl (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for furan-2-yl (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl (2S)-2-amino-4-methylpentanoate?
The InChIKey is KCQCGZXHEXVOHY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)6-8(11)10(12)14-9-4-3-5-13-9/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1.
What are the key properties of furan-2-yl (2S)-2-amino-4-methylpentanoate?
furan-2-yl (2S)-2-amino-4-methylpentanoate has a molecular weight of 197.23 g/mol, XLogP of 1.56, 4 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-4-methylpentanoate is sourced from PubChem (CID 90119434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).