5-aminohept-6-ynoic acid

C7H11NO2 — CID 71374122

IUPAC5-aminohept-6-ynoic acid
SMILESC#CC(N)CCCC(=O)O
InChIInChI=1S/C7H11NO2/c1-2-6(8)4-3-5-7(9)10/h1,6H,3-5,8H2,(H,9,10)
InChIKeyCLSRVPDEBYXVNI-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds4

About 5-aminohept-6-ynoic acid

5-aminohept-6-ynoic acid (PubChem CID 71374122) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-aminohept-6-ynoic acid.

Molecular Properties

Compound Name5-aminohept-6-ynoic acid
PubChem CID71374122
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-aminohept-6-ynoic acid
SMILESC#CC(N)CCCC(=O)O
InChIInChI=1S/C7H11NO2/c1-2-6(8)4-3-5-7(9)10/h1,6H,3-5,8H2,(H,9,10)
InChIKeyCLSRVPDEBYXVNI-UHFFFAOYSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-5-sulfopentanoic acid
CID 174439740
5,5-dihydroxypentanoic acid
CID 57194054
5-aminododecanedioic acid
CID 3835680
(5R)-5-amino-5-phosphanylpentanoic acid
CID 174654191
6-amino-5,6-dihydroxyhexanoic acid
CID 123463215
6,12-diaminoheptadecanedioic acid
CID 23455605
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
methyl (4R)-4-aminohex-5-ynoate
CID 88718815
disodium;2-aminohexanedioic acid;hydride
CID 174674537
(4S)-4-amino-5-oxohenicosanedioic acid
CID 90040978
ethane-1,1,2-triamine;hexanedioic acid
CID 19698869

Frequently Asked Questions

What is the IUPAC name of 5-aminohept-6-ynoic acid?
The IUPAC name of 5-aminohept-6-ynoic acid (CID 71374122) is 5-aminohept-6-ynoic acid.
What is the SMILES notation for 5-aminohept-6-ynoic acid?
The canonical SMILES for 5-aminohept-6-ynoic acid is C#CC(N)CCCC(=O)O.
What is the InChIKey of 5-aminohept-6-ynoic acid?
The InChIKey is CLSRVPDEBYXVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-6(8)4-3-5-7(9)10/h1,6H,3-5,8H2,(H,9,10).
What are the key properties of 5-aminohept-6-ynoic acid?
5-aminohept-6-ynoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminohept-6-ynoic acid is sourced from PubChem (CID 71374122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).