2-(5-hydroxyhexanoylamino)acetic acid

C8H15NO4 — CID 131802905

IUPAC2-(5-hydroxyhexanoylamino)acetic acid
SMILESCC(O)CCCC(=O)NCC(=O)O
InChIInChI=1S/C8H15NO4/c1-6(10)3-2-4-7(11)9-5-8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyYAFMZZZZHXVTEJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.26
Rot. Bonds6

About 2-(5-hydroxyhexanoylamino)acetic acid

2-(5-hydroxyhexanoylamino)acetic acid (PubChem CID 131802905) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(5-hydroxyhexanoylamino)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxyhexanoylamino)acetic acid
PubChem CID131802905
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(5-hydroxyhexanoylamino)acetic acid
SMILESCC(O)CCCC(=O)NCC(=O)O
InChIInChI=1S/C8H15NO4/c1-6(10)3-2-4-7(11)9-5-8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyYAFMZZZZHXVTEJ-UHFFFAOYSA-N
XLogP-0.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
2-(7-methyloctanoylamino)acetic acid
CID 21289225
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
CID 87532133
2-[[2-[4-(propan-2-ylamino)butanoylamino]acetyl]amino]acetic acid
CID 61160831
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
14-[[1-carboxy-4-(carboxymethylamino)-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 123780808
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-(carboxymethylamino)-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 166930578
2,10-dihydroxyundecan-6-one
CID 56979503

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxyhexanoylamino)acetic acid?
The IUPAC name of 2-(5-hydroxyhexanoylamino)acetic acid (CID 131802905) is 2-(5-hydroxyhexanoylamino)acetic acid.
What is the SMILES notation for 2-(5-hydroxyhexanoylamino)acetic acid?
The canonical SMILES for 2-(5-hydroxyhexanoylamino)acetic acid is CC(O)CCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(5-hydroxyhexanoylamino)acetic acid?
The InChIKey is YAFMZZZZHXVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(10)3-2-4-7(11)9-5-8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-(5-hydroxyhexanoylamino)acetic acid?
2-(5-hydroxyhexanoylamino)acetic acid has a molecular weight of 189.21 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxyhexanoylamino)acetic acid is sourced from PubChem (CID 131802905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).