2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid

C9H17N3O5 — CID 18221143

IUPAC2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(NC(=O)CN)C(C)O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-4(9(16)17)11-8(15)7(5(2)13)12-6(14)3-10/h4-5,7,13H,3,10H2,1-2H3,(H,11,15)(H,12,14)(H,16,17)
InChIKeyFFJQHWKSGAWSTJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP-2.60
Rot. Bonds6

About 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid

2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid (PubChem CID 18221143) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid
PubChem CID18221143
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(NC(=O)CN)C(C)O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-4(9(16)17)11-8(15)7(5(2)13)12-6(14)3-10/h4-5,7,13H,3,10H2,1-2H3,(H,11,15)(H,12,14)(H,16,17)
InChIKeyFFJQHWKSGAWSTJ-UHFFFAOYSA-N
XLogP-2.60
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-4-(1-carboxyethylamino)-4-oxobutanoic acid
CID 18491096
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid
CID 18491369
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18491430
2-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
CID 18491040
(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoic acid
CID 44968172
2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
CID 18221153
2-[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]propanoylamino]-3-hydroxybutanoic acid
CID 18488301
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid
CID 44512372
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoic acid
CID 18491338
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18487868
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18492432
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 18491230

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid (CID 18221143) is 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid is CC(NC(=O)C(NC(=O)CN)C(C)O)C(=O)O.
What is the InChIKey of 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid?
The InChIKey is FFJQHWKSGAWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-4(9(16)17)11-8(15)7(5(2)13)12-6(14)3-10/h4-5,7,13H,3,10H2,1-2H3,(H,11,15)(H,12,14)(H,16,17).
What are the key properties of 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid?
2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of -2.60, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid is sourced from PubChem (CID 18221143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).