2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid

C11H20N4O6 — CID 18235518

IUPAC2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(N)C(=O)NCC(=O)NCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H20N4O6/c1-5(12)10(19)14-3-7(17)13-4-8(18)15-9(6(2)16)11(20)21/h5-6,9,16H,3-4,12H2,1-2H3,(H,13,17)(H,14,19)(H,15,18)(H,20,21)
InChIKeyAAKSIAAHYPYEDI-UHFFFAOYSA-N
MW304.30 g/mol
LogP-3.48
Rot. Bonds8

About 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid

2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 18235518) has the molecular formula C11H20N4O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid
PubChem CID18235518
Molecular FormulaC11H20N4O6
Molecular Weight304.30 g/mol
Exact Mass304.14
IUPAC Name2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(N)C(=O)NCC(=O)NCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H20N4O6/c1-5(12)10(19)14-3-7(17)13-4-8(18)15-9(6(2)16)11(20)21/h5-6,9,16H,3-4,12H2,1-2H3,(H,13,17)(H,14,19)(H,15,18)(H,20,21)
InChIKeyAAKSIAAHYPYEDI-UHFFFAOYSA-N
XLogP-3.48
TPSA170.85 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.30
LogP ≤ 5-3.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid with MolForge

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Related Compounds

(2S,3R)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid
CID 104965307
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18748051
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 18235686
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid
CID 18261026
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid
CID 18300888
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 18224326
(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 11434427
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]butanedioic acid
CID 18235506
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]acetyl]amino]butanedioic acid
CID 18239072
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18294601
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 19941814

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid (CID 18235518) is 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid is CC(N)C(=O)NCC(=O)NCC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is AAKSIAAHYPYEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O6/c1-5(12)10(19)14-3-7(17)13-4-8(18)15-9(6(2)16)11(20)21/h5-6,9,16H,3-4,12H2,1-2H3,(H,13,17)(H,14,19)(H,15,18)(H,20,21).
What are the key properties of 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid?
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 304.30 g/mol, XLogP of -3.48, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 18235518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).