(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid

C7H14N2O3S — CID 62324056

IUPAC(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
SMILESCNC(=O)CCSC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3S/c1-9-6(10)2-3-13-4-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyKXFURGZAEFARBF-YFKPBYRVSA-N
MW206.27 g/mol
LogP-0.73
Rot. Bonds6

About (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid

(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid (PubChem CID 62324056) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
PubChem CID62324056
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
SMILESCNC(=O)CCSC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O3S/c1-9-6(10)2-3-13-4-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyKXFURGZAEFARBF-YFKPBYRVSA-N
XLogP-0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773263
2-amino-N-methyl-3-(3-oxobutylsulfanyl)propanamide
CID 165044395
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
CID 107772991
(2R)-2-amino-3-(3-anilino-3-oxopropyl)sulfanylpropanoic acid
CID 61142275
5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
CID 11665727
(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
2-amino-3-(2-aminoethylsulfanyl)propanoic acid chloride
CID 5458409
(2R)-2-amino-3-(3,3-dimethylbutylsulfanyl)propanoic acid
CID 61147258
2-methyl-3-[3-(methylcarbamoylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 64916668
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
CID 15813262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid (CID 62324056) is (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid is CNC(=O)CCSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid?
The InChIKey is KXFURGZAEFARBF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-9-6(10)2-3-13-4-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid has a molecular weight of 206.27 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid is sourced from PubChem (CID 62324056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).