(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid

C6H12N2O5 — CID 7019105

IUPAC(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
SMILESN[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1
InChIKeyXZKQVQKUZMAADP-IMJSIDKUSA-N
MW192.17 g/mol
LogP-3.13
Rot. Bonds5

About (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid (PubChem CID 7019105) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
PubChem CID7019105
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
SMILESN[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1
InChIKeyXZKQVQKUZMAADP-IMJSIDKUSA-N
XLogP-3.13
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

Acetylserine
CID 65249
Val-Ser
CID 6992640
L-Serylglycine
CID 7009644
Ala-Ser
CID 1549433
N-acetyl-L-threonine
CID 152204
Glycylserine
CID 102466
Alanylthreonine
CID 6427004
N-Acetyl-DL-serine
CID 352294
N-(2-Amino-1-hydroxyethylidene)threonine
CID 351980
Ser-Val
CID 7020159
Serine, glycyl-
CID 73086
Seryl-alanine
CID 7009579

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid (CID 7019105) is (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid is N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is XZKQVQKUZMAADP-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 192.17 g/mol, XLogP of -3.13, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 7019105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).