5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid

C14H24N2O3 — CID 79272358

IUPAC5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid
SMILESC#CCNCC(=O)NCCC(CCC(=O)O)C(C)C
InChIInChI=1S/C14H24N2O3/c1-4-8-15-10-13(17)16-9-7-12(11(2)3)5-6-14(18)19/h1,11-12,15H,5-10H2,2-3H3,(H,16,17)(H,18,19)
InChIKeyXIUYXDOSMUUQIG-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.85
Rot. Bonds10

About 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid

5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid (PubChem CID 79272358) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid
PubChem CID79272358
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid
SMILESC#CCNCC(=O)NCCC(CCC(=O)O)C(C)C
InChIInChI=1S/C14H24N2O3/c1-4-8-15-10-13(17)16-9-7-12(11(2)3)5-6-14(18)19/h1,11-12,15H,5-10H2,2-3H3,(H,16,17)(H,18,19)
InChIKeyXIUYXDOSMUUQIG-UHFFFAOYSA-N
XLogP0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
2-(prop-2-ynylamino)acetic acid
CID 88693817
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]-5-methylhexanoic acid
CID 64894994
2-(prop-2-ynylamino)acetic acid;hydrochloride
CID 88630833
N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 112722354
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
2-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]butanoic acid
CID 79270508
N-(2-ethoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286728
2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79271263

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid?
The IUPAC name of 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid (CID 79272358) is 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid.
What is the SMILES notation for 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid?
The canonical SMILES for 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid is C#CCNCC(=O)NCCC(CCC(=O)O)C(C)C.
What is the InChIKey of 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid?
The InChIKey is XIUYXDOSMUUQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-8-15-10-13(17)16-9-7-12(11(2)3)5-6-14(18)19/h1,11-12,15H,5-10H2,2-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid?
5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid has a molecular weight of 268.36 g/mol, XLogP of 0.85, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid is sourced from PubChem (CID 79272358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).