4-(4-aminopentanoylamino)-2-hydroxybutanoic acid

C9H18N2O4 — CID 107836031

IUPAC4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
SMILESCC(N)CCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(10)2-3-8(13)11-5-4-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyXXRCWUNGMREUCW-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.93
Rot. Bonds7

About 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid

4-(4-aminopentanoylamino)-2-hydroxybutanoic acid (PubChem CID 107836031) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
PubChem CID107836031
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
SMILESCC(N)CCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(10)2-3-8(13)11-5-4-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyXXRCWUNGMREUCW-UHFFFAOYSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid
CID 107832505
(4R)-4-amino-N-propylpentanamide
CID 146234117
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid (CID 107836031) is 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid is CC(N)CCC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid?
The InChIKey is XXRCWUNGMREUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(10)2-3-8(13)11-5-4-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid?
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopentanoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107836031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).