2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate

C5H12N2O5 — CID 70700077

IUPAC2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate
SMILESNCC(=O)NC(CO)C(=O)O.O
InChIInChI=1S/C5H10N2O4.H2O/c6-1-4(9)7-3(2-8)5(10)11;/h3,8H,1-2,6H2,(H,7,9)(H,10,11);1H2
InChIKeyZONZNQBJUJLKMD-UHFFFAOYSA-N
MW180.16 g/mol
LogP-3.32
Rot. Bonds4

About 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate

2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate (PubChem CID 70700077) has the molecular formula C5H12N2O5 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate
PubChem CID70700077
Molecular FormulaC5H12N2O5
Molecular Weight180.16 g/mol
Exact Mass180.07
IUPAC Name2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate
SMILESNCC(=O)NC(CO)C(=O)O.O
InChIInChI=1S/C5H10N2O4.H2O/c6-1-4(9)7-3(2-8)5(10)11;/h3,8H,1-2,6H2,(H,7,9)(H,10,11);1H2
InChIKeyZONZNQBJUJLKMD-UHFFFAOYSA-N
XLogP-3.32
TPSA144.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
Serine, glycyl-
CID 73086
N-Glycylalanine
CID 98153
Glycyl-L-alanine
CID 1551643

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate (CID 70700077) is 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate is NCC(=O)NC(CO)C(=O)O.O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate?
The InChIKey is ZONZNQBJUJLKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4.H2O/c6-1-4(9)7-3(2-8)5(10)11;/h3,8H,1-2,6H2,(H,7,9)(H,10,11);1H2.
What are the key properties of 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate?
2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate has a molecular weight of 180.16 g/mol, XLogP of -3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-3-hydroxypropanoic acid;hydrate is sourced from PubChem (CID 70700077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).