2-(6-bromohexanoylamino)acetic acid

C8H14BrNO3 — CID 18934957

IUPAC2-(6-bromohexanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CCCCCBr
InChIInChI=1S/C8H14BrNO3/c9-5-3-1-2-4-7(11)10-6-8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyLCOWNNPWYGJIDV-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.14
Rot. Bonds7

About 2-(6-bromohexanoylamino)acetic acid

2-(6-bromohexanoylamino)acetic acid (PubChem CID 18934957) has the molecular formula C8H14BrNO3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-(6-bromohexanoylamino)acetic acid.

Molecular Properties

Compound Name2-(6-bromohexanoylamino)acetic acid
PubChem CID18934957
Molecular FormulaC8H14BrNO3
Molecular Weight252.11 g/mol
Exact Mass251.02
IUPAC Name2-(6-bromohexanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CCCCCBr
InChIInChI=1S/C8H14BrNO3/c9-5-3-1-2-4-7(11)10-6-8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyLCOWNNPWYGJIDV-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid
CID 101240963
5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 107907997
2-(7-methyloctanoylamino)acetic acid
CID 21289225
2-(10-deuteriodecanoylamino)acetic acid
CID 170555179
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohexanoylamino)acetic acid?
The IUPAC name of 2-(6-bromohexanoylamino)acetic acid (CID 18934957) is 2-(6-bromohexanoylamino)acetic acid.
What is the SMILES notation for 2-(6-bromohexanoylamino)acetic acid?
The canonical SMILES for 2-(6-bromohexanoylamino)acetic acid is O=C(O)CNC(=O)CCCCCBr.
What is the InChIKey of 2-(6-bromohexanoylamino)acetic acid?
The InChIKey is LCOWNNPWYGJIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO3/c9-5-3-1-2-4-7(11)10-6-8(12)13/h1-6H2,(H,10,11)(H,12,13).
What are the key properties of 2-(6-bromohexanoylamino)acetic acid?
2-(6-bromohexanoylamino)acetic acid has a molecular weight of 252.11 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexanoylamino)acetic acid is sourced from PubChem (CID 18934957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).