2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid

C11H23NO4 — CID 104681093

IUPAC2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid
SMILESCC(C)OCC(O)CC(CCCN)C(=O)O
InChIInChI=1S/C11H23NO4/c1-8(2)16-7-10(13)6-9(11(14)15)4-3-5-12/h8-10,13H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyGRCSLHVFNVFXKF-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.60
Rot. Bonds9

About 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid

2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid (PubChem CID 104681093) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid
PubChem CID104681093
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid
SMILESCC(C)OCC(O)CC(CCCN)C(=O)O
InChIInChI=1S/C11H23NO4/c1-8(2)16-7-10(13)6-9(11(14)15)4-3-5-12/h8-10,13H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyGRCSLHVFNVFXKF-UHFFFAOYSA-N
XLogP0.60
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
CID 106993176
2-(2-aminoethyl)-4-hydroxypentanoic acid
CID 104680935
2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid
CID 175196043
diethyl 2-(2-hydroxy-3-propan-2-yloxypropyl)propanedioate
CID 112696152
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
CID 62273506
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
6-amino-2-ethylhexanoic acid;azane
CID 88821488
6-(2-methylpropoxy)-2-(2-methylpropyl)-6-oxohexanoic acid
CID 175272434
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
2-(4-aminobutyl)hex-4-ynoic acid
CID 104681385
5-amino-2-(4-aminobutyl)-4-oxohexanoic acid
CID 158959458

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid?
The IUPAC name of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid (CID 104681093) is 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid.
What is the SMILES notation for 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid?
The canonical SMILES for 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid is CC(C)OCC(O)CC(CCCN)C(=O)O.
What is the InChIKey of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid?
The InChIKey is GRCSLHVFNVFXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-8(2)16-7-10(13)6-9(11(14)15)4-3-5-12/h8-10,13H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid?
2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid has a molecular weight of 233.31 g/mol, XLogP of 0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-hydroxy-5-propan-2-yloxypentanoic acid is sourced from PubChem (CID 104681093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).