2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid

C7H13N3O5 — CID 88668972

IUPAC2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid
SMILESNCC(=O)N(CC(=O)O)C(=O)C(N)CO
InChIInChI=1S/C7H13N3O5/c8-1-5(12)10(2-6(13)14)7(15)4(9)3-11/h4,11H,1-3,8-9H2,(H,13,14)
InChIKeyUUCWKUGSCTWHQA-UHFFFAOYSA-N
MW219.20 g/mol
LogP-3.30
Rot. Bonds5

About 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid

2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid (PubChem CID 88668972) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid
PubChem CID88668972
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid
SMILESNCC(=O)N(CC(=O)O)C(=O)C(N)CO
InChIInChI=1S/C7H13N3O5/c8-1-5(12)10(2-6(13)14)7(15)4(9)3-11/h4,11H,1-3,8-9H2,(H,13,14)
InChIKeyUUCWKUGSCTWHQA-UHFFFAOYSA-N
XLogP-3.30
TPSA146.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-3.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(2-aminoacetyl)amino]acetic acid
CID 23617061
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid
CID 175582504
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid
CID 175106250
bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 158988010
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
CID 87629075
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
CID 157089134
CID 157089134
(2S)-2-amino-5-[[(2R)-2-amino-3-(3-oxopropylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
CID 3081231
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
CID 88764935
2-amino-3-hydroxypropanoic acid;urea
CID 90283765

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid (CID 88668972) is 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid is NCC(=O)N(CC(=O)O)C(=O)C(N)CO.
What is the InChIKey of 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid?
The InChIKey is UUCWKUGSCTWHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O5/c8-1-5(12)10(2-6(13)14)7(15)4(9)3-11/h4,11H,1-3,8-9H2,(H,13,14).
What are the key properties of 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid?
2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid has a molecular weight of 219.20 g/mol, XLogP of -3.30, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid is sourced from PubChem (CID 88668972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).