2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid

C10H15NO4S — CID 142014869

IUPAC2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid
SMILESCc1occc1SCC(O)CC(N)C(=O)O
InChIInChI=1S/C10H15NO4S/c1-6-9(2-3-15-6)16-5-7(12)4-8(11)10(13)14/h2-3,7-8,12H,4-5,11H2,1H3,(H,13,14)
InChIKeyPUGABMJNMFZTHV-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.84
Rot. Bonds6

About 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid

2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid (PubChem CID 142014869) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid
PubChem CID142014869
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid
SMILESCc1occc1SCC(O)CC(N)C(=O)O
InChIInChI=1S/C10H15NO4S/c1-6-9(2-3-15-6)16-5-7(12)4-8(11)10(13)14/h2-3,7-8,12H,4-5,11H2,1H3,(H,13,14)
InChIKeyPUGABMJNMFZTHV-UHFFFAOYSA-N
XLogP0.84
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-Trifluoro-3-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107779846
1,1,1-Trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
CID 107780013
2-Amino-3-sulfanylpropanoic acid;furan-2-ylmethanethiol
CID 22235096
2-Amino-3-sulfanylpropanoic acid;2-methylfuran-3-thiol
CID 22235098
2-Amino-3-(furan-2-ylmethylsulfanyl)propanoic acid
CID 43440533
(2R)-2-amino-3-(furan-2-ylmethylsulfanyl)propanoic acid
CID 54035059
2-(2-Methylfuran-3-yl)sulfanylethanamine
CID 55262856
S-(2-methylfuran-3-yl) (2S)-2-aminopropanethioate
CID 57071709
2-Amino-4-(furan-2-ylmethylsulfanyl)butanoic acid
CID 60921107
3-[(2-Methylfuran-3-yl)disulfanyl]-L-alanine
CID 71360313
(2R)-2-[(2-methylfuran-3-yl)sulfanylamino]-3-sulfanylpropanoic acid
CID 87922827
(2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid
CID 140500809

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid?
The IUPAC name of 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid (CID 142014869) is 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid is Cc1occc1SCC(O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid?
The InChIKey is PUGABMJNMFZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-6-9(2-3-15-6)16-5-7(12)4-8(11)10(13)14/h2-3,7-8,12H,4-5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid?
2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid has a molecular weight of 245.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-(2-methylfuran-3-yl)sulfanylpentanoic acid is sourced from PubChem (CID 142014869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).