(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide

C6H14N2O3S — CID 162977129

IUPAC(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide
SMILESC[S@](=O)CCNC(=O)[C@H](O)CN
InChIInChI=1S/C6H14N2O3S/c1-12(11)3-2-8-6(10)5(9)4-7/h5,9H,2-4,7H2,1H3,(H,8,10)/t5-,12+/m1/s1
InChIKeyLIXIGMFHHIXHET-KQDJYFMNSA-N
MW194.26 g/mol
LogP-2.20
Rot. Bonds5

About (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide

(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide (PubChem CID 162977129) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide
PubChem CID162977129
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide
SMILESC[S@](=O)CCNC(=O)[C@H](O)CN
InChIInChI=1S/C6H14N2O3S/c1-12(11)3-2-8-6(10)5(9)4-7/h5,9H,2-4,7H2,1H3,(H,8,10)/t5-,12+/m1/s1
InChIKeyLIXIGMFHHIXHET-KQDJYFMNSA-N
XLogP-2.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide?
The IUPAC name of (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide (CID 162977129) is (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide.
What is the SMILES notation for (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide?
The canonical SMILES for (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide is C[S@](=O)CCNC(=O)[C@H](O)CN.
What is the InChIKey of (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide?
The InChIKey is LIXIGMFHHIXHET-KQDJYFMNSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-12(11)3-2-8-6(10)5(9)4-7/h5,9H,2-4,7H2,1H3,(H,8,10)/t5-,12+/m1/s1.
What are the key properties of (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide?
(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide has a molecular weight of 194.26 g/mol, XLogP of -2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide is sourced from PubChem (CID 162977129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).