3-formamido-5-methylhexanoic acid

C8H15NO3 — CID 83618480

IUPAC3-formamido-5-methylhexanoic acid
SMILESCC(C)CC(CC(=O)O)NC=O
InChIInChI=1S/C8H15NO3/c1-6(2)3-7(9-5-10)4-8(11)12/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyZFGKBAWESWAEED-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.62
Rot. Bonds6

About 3-formamido-5-methylhexanoic acid

3-formamido-5-methylhexanoic acid (PubChem CID 83618480) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-formamido-5-methylhexanoic acid.

Molecular Properties

Compound Name3-formamido-5-methylhexanoic acid
PubChem CID83618480
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-formamido-5-methylhexanoic acid
SMILESCC(C)CC(CC(=O)O)NC=O
InChIInChI=1S/C8H15NO3/c1-6(2)3-7(9-5-10)4-8(11)12/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyZFGKBAWESWAEED-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(carboxyamino)-5-methylhexanoic acid
CID 174574418
[(2R)-2-formamido-4-methylpentyl] acetate
CID 45103886
(3R)-3-(decanoylamino)-5-methylhexanoic acid
CID 10380017
(3S)-4-[[(1S)-1-carboxyethyl]amino]-3-formamido-4-oxobutanoic acid
CID 54486402
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
2-(2-formamidopropanoylamino)-4-methylpentanoic acid
CID 131864242
(2S,3S)-3-formamido-2-hydroxy-5-methylhexanoic acid
CID 101256899
(4R)-4-acetamido-6-methyl-2-oxoheptanoic acid
CID 165355470
3-methylbutanoic acid
CID 20849036
(3S)-5-methyl-3-[(3-methyloxetane-3-carbonyl)amino]hexanoic acid
CID 126442536
5-methyl-2-(propan-2-ylamino)hexanoic acid;5-methyl-3-(propan-2-ylamino)hexanoic acid
CID 160683825
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731

Frequently Asked Questions

What is the IUPAC name of 3-formamido-5-methylhexanoic acid?
The IUPAC name of 3-formamido-5-methylhexanoic acid (CID 83618480) is 3-formamido-5-methylhexanoic acid.
What is the SMILES notation for 3-formamido-5-methylhexanoic acid?
The canonical SMILES for 3-formamido-5-methylhexanoic acid is CC(C)CC(CC(=O)O)NC=O.
What is the InChIKey of 3-formamido-5-methylhexanoic acid?
The InChIKey is ZFGKBAWESWAEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)3-7(9-5-10)4-8(11)12/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 3-formamido-5-methylhexanoic acid?
3-formamido-5-methylhexanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-5-methylhexanoic acid is sourced from PubChem (CID 83618480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).