7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid

C14H24N2O4 — CID 134329081

IUPAC7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H24N2O4/c1-4-11(17)16-14(2,3)13(20)15-10-8-6-5-7-9-12(18)19/h4H,1,5-10H2,2-3H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyFYEVZNGJDZVBPY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.22
Rot. Bonds10

About 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid

7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid (PubChem CID 134329081) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid
PubChem CID134329081
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H24N2O4/c1-4-11(17)16-14(2,3)13(20)15-10-8-6-5-7-9-12(18)19/h4H,1,5-10H2,2-3H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyFYEVZNGJDZVBPY-UHFFFAOYSA-N
XLogP1.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Acryloylamino)undecanoic acid
CID 19364831
7-(Prop-2-enoylamino)heptanoic acid
CID 24699045
Fluoro 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate
CID 134339657
6-[2-(Prop-2-enoylamino)hexanoylamino]hexanoic acid
CID 17935577
12-Amino-12-oxo-7-(prop-2-enoylamino)dodecanoic acid
CID 17958034
10-(Prop-2-enoylamino)undecanoic acid
CID 19601175
9-(Prop-2-enoylamino)decanoic acid
CID 21133715
2-(Prop-2-enoylamino)heptanoic acid
CID 22904718
6-[2-(2,5-Dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 23079593
6-[[(E)-4-[[1-[(11-amino-11-oxoundecyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-enoyl]amino]-2-methylhexanoic acid
CID 58651850
2,6-Bis(prop-2-enoylamino)hexanoic acid
CID 58792649
6-(Prop-2-enoylamino)heptanoic acid
CID 87307308

Frequently Asked Questions

What is the IUPAC name of 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid (CID 134329081) is 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid is C=CC(=O)NC(C)(C)C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid?
The InChIKey is FYEVZNGJDZVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-11(17)16-14(2,3)13(20)15-10-8-6-5-7-9-12(18)19/h4H,1,5-10H2,2-3H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid?
7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.22, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid is sourced from PubChem (CID 134329081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).