2-[ethyl(formyl)amino]hexanoic acid

C9H17NO3 — CID 63687944

IUPAC2-[ethyl(formyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C=O)CC
InChIInChI=1S/C9H17NO3/c1-3-5-6-8(9(12)13)10(4-2)7-11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyJIDIOHONOKNKTI-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.11
Rot. Bonds7

About 2-[ethyl(formyl)amino]hexanoic acid

2-[ethyl(formyl)amino]hexanoic acid (PubChem CID 63687944) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]hexanoic acid
PubChem CID63687944
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[ethyl(formyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C=O)CC
InChIInChI=1S/C9H17NO3/c1-3-5-6-8(9(12)13)10(4-2)7-11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyJIDIOHONOKNKTI-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl(propyl)amino]hexanoic acid
CID 63689279
2-[ethyl(formyl)amino]-4-methylsulfanylbutanoic acid
CID 63688882
2-[formyl(propan-2-yl)amino]heptanoic acid
CID 63687564
2-(diethylamino)heptanoic acid
CID 43803668
2-butylhexanoic acid;N,N-dimethylformamide
CID 19350390
(2S)-2-[butyl(formyl)amino]pent-4-enoic acid
CID 143411974
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 103189711
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-[2-carboxyethyl(methyl)amino]hexanoic acid
CID 82328730
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]hexanoic acid?
The IUPAC name of 2-[ethyl(formyl)amino]hexanoic acid (CID 63687944) is 2-[ethyl(formyl)amino]hexanoic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]hexanoic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]hexanoic acid is CCCCC(C(=O)O)N(C=O)CC.
What is the InChIKey of 2-[ethyl(formyl)amino]hexanoic acid?
The InChIKey is JIDIOHONOKNKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-6-8(9(12)13)10(4-2)7-11/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[ethyl(formyl)amino]hexanoic acid?
2-[ethyl(formyl)amino]hexanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]hexanoic acid is sourced from PubChem (CID 63687944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).