2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid

C5H9NO3S — CID 54537730

IUPAC2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H](C=S)CO
InChIInChI=1S/C5H9NO3S/c7-2-4(3-10)6-1-5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t4-/m1/s1
InChIKeyROHRKUZKQBZORW-SCSAIBSYSA-N
MW163.20 g/mol
LogP-0.98
Rot. Bonds5

About 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid

2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid (PubChem CID 54537730) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid
PubChem CID54537730
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H](C=S)CO
InChIInChI=1S/C5H9NO3S/c7-2-4(3-10)6-1-5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t4-/m1/s1
InChIKeyROHRKUZKQBZORW-SCSAIBSYSA-N
XLogP-0.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(carboxymethylamino)propanoic acid
CID 2764308
(4S)-4-(carboxymethylamino)-5-oxopentanoic acid
CID 177256795
2-[(1-amino-4-methylpent-3-en-2-yl)amino]acetic acid
CID 88704450
2-(1-chloroprop-2-enylamino)acetic acid
CID 87728254
2-(carboxymethylamino)propanedioic acid;hydrazine
CID 158445121
2-[[(Z)-pent-3-en-2-yl]amino]acetic acid
CID 143858966
2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid
CID 160542223
2-(carboxymethylamino)acetic acid
CID 8897
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-[[(2S)-but-3-yn-2-yl]amino]acetic acid
CID 135221499
2,3-bis(carboxymethylamino)propanoic acid
CID 10922022
2-methanethioylbutanedioic acid
CID 54270659

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid (CID 54537730) is 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid is O=C(O)CN[C@@H](C=S)CO.
What is the InChIKey of 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid?
The InChIKey is ROHRKUZKQBZORW-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO3S/c7-2-4(3-10)6-1-5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t4-/m1/s1.
What are the key properties of 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid?
2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid has a molecular weight of 163.20 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-hydroxy-3-sulfanylidenepropan-2-yl]amino]acetic acid is sourced from PubChem (CID 54537730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).