2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid

C7H14N2O3S — CID 21345005

IUPAC2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
SMILESCC(=O)C(N)CSCC(N)C(=O)O
InChIInChI=1S/C7H14N2O3S/c1-4(10)5(8)2-13-3-6(9)7(11)12/h5-6H,2-3,8-9H2,1H3,(H,11,12)
InChIKeyRQBNQYLZKRTDJO-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.95
Rot. Bonds6

About 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid

2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid (PubChem CID 21345005) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
PubChem CID21345005
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
SMILESCC(=O)C(N)CSCC(N)C(=O)O
InChIInChI=1S/C7H14N2O3S/c1-4(10)5(8)2-13-3-6(9)7(11)12/h5-6H,2-3,8-9H2,1H3,(H,11,12)
InChIKeyRQBNQYLZKRTDJO-UHFFFAOYSA-N
XLogP-0.95
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309
3-amino-4-methylsulfanylbutan-2-one
CID 20644498
(2R)-2-amino-3-(2,2-dimethoxyethylsulfanyl)propanoic acid
CID 54312308
(2S)-2-amino-3-(methylsulfanylmethylsulfanyl)propanoic acid
CID 15000213
[(2R)-2-acetyloxy-3-[(2R)-2-amino-3-oxobutyl]sulfanylpropyl] acetate
CID 163907532
2-amino-4-(3-amino-4-oxopentyl)sulfanylbutanoic acid
CID 159551936
3-(acetamidomethylsulfanyl)-2-aminopropanoic acid;hydrochloride
CID 21421850
(2S)-2-amino-3-(2-methylpentylsulfanyl)propanoic acid
CID 107773647
(2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid
CID 139915802
(2S)-2-amino-3-(1-amino-2-oxopropyl)sulfanylpropanoic acid
CID 87664921
2-amino-3-[(2S)-2-carboxy-2-(diethylamino)ethyl]sulfanylpropanoic acid
CID 57257580
3-(2-acetamido-2-oxoethyl)sulfanyl-2-aminopropanoic acid
CID 155907009

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid (CID 21345005) is 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid is CC(=O)C(N)CSCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid?
The InChIKey is RQBNQYLZKRTDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-4(10)5(8)2-13-3-6(9)7(11)12/h5-6H,2-3,8-9H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid?
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid has a molecular weight of 206.27 g/mol, XLogP of -0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid is sourced from PubChem (CID 21345005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).