formyl 5-aminoheptanoate

C8H15NO3 — CID 174502163

IUPACformyl 5-aminoheptanoate
SMILESCCC(N)CCCC(=O)OC=O
InChIInChI=1S/C8H15NO3/c1-2-7(9)4-3-5-8(11)12-6-10/h6-7H,2-5,9H2,1H3
InChIKeyTZMWQOODYRJNAU-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.59
Rot. Bonds6

About formyl 5-aminoheptanoate

formyl 5-aminoheptanoate (PubChem CID 174502163) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is formyl 5-aminoheptanoate.

Molecular Properties

Compound Nameformyl 5-aminoheptanoate
PubChem CID174502163
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameformyl 5-aminoheptanoate
SMILESCCC(N)CCCC(=O)OC=O
InChIInChI=1S/C8H15NO3/c1-2-7(9)4-3-5-8(11)12-6-10/h6-7H,2-5,9H2,1H3
InChIKeyTZMWQOODYRJNAU-UHFFFAOYSA-N
XLogP0.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diformyl octanedioate
CID 22123750
diformyl dodecanedioate
CID 57224405
formyl docosanoate
CID 87130713
formyl heptanoate
CID 57242473
diformyl pentanedioate
CID 57199083
potassium;formyl dodecanoate;hydride
CID 173298306
1-O-ethyl 4-O-formyl butanedioate
CID 91193992
4-aminohexyl prop-2-enoate
CID 91140688
methyl (4S)-4-aminohexanoate
CID 130019319
methyl 5-amino-6-oxohexanoate
CID 78438770
azane;6-formyloxy-6-oxohexanoic acid
CID 174509608
8-aminodecanal
CID 173156180

Frequently Asked Questions

What is the IUPAC name of formyl 5-aminoheptanoate?
The IUPAC name of formyl 5-aminoheptanoate (CID 174502163) is formyl 5-aminoheptanoate.
What is the SMILES notation for formyl 5-aminoheptanoate?
The canonical SMILES for formyl 5-aminoheptanoate is CCC(N)CCCC(=O)OC=O.
What is the InChIKey of formyl 5-aminoheptanoate?
The InChIKey is TZMWQOODYRJNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-7(9)4-3-5-8(11)12-6-10/h6-7H,2-5,9H2,1H3.
What are the key properties of formyl 5-aminoheptanoate?
formyl 5-aminoheptanoate has a molecular weight of 173.21 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 5-aminoheptanoate is sourced from PubChem (CID 174502163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).