(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid

C7H13NO5 — CID 170835685

IUPAC(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid
SMILESC[C@@H](O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H13NO5/c1-3(9)5(7(12)13)8-6(11)4(2)10/h3-5,9-10H,1-2H3,(H,8,11)(H,12,13)/t3-,4-,5+/m1/s1
InChIKeyNJAJXYAOBCLWCP-WDCZJNDASA-N
MW191.18 g/mol
LogP-1.68
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid

(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid (PubChem CID 170835685) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid
PubChem CID170835685
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid
SMILESC[C@@H](O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H13NO5/c1-3(9)5(7(12)13)8-6(11)4(2)10/h3-5,9-10H,1-2H3,(H,8,11)(H,12,13)/t3-,4-,5+/m1/s1
InChIKeyNJAJXYAOBCLWCP-WDCZJNDASA-N
XLogP-1.68
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Acetylserine
CID 65249
Ala-Ser
CID 1549433
N-acetyl-L-threonine
CID 152204
Alanylthreonine
CID 6427004
N-Acetyl-DL-serine
CID 352294
N-(2-Amino-1-hydroxyethylidene)threonine
CID 351980
(2S,3S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-hydroxybutanoate
CID 7006473
N-Methyl-L-threonine
CID 7010355
Thr-Ser
CID 7016065
Serinylthreonine zwitterion
CID 155903250
Thr-Ala
CID 7010578
(2S)-3-hydroxy-2-(2-methylpropanamido)propanoic acid
CID 29908573

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid (CID 170835685) is (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid is C[C@@H](O)C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid?
The InChIKey is NJAJXYAOBCLWCP-WDCZJNDASA-N. The full InChI is InChI=1S/C7H13NO5/c1-3(9)5(7(12)13)8-6(11)4(2)10/h3-5,9-10H,1-2H3,(H,8,11)(H,12,13)/t3-,4-,5+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid has a molecular weight of 191.18 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxypropanoyl]amino]butanoic acid is sourced from PubChem (CID 170835685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).