7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid

C14H29N3O4 — CID 62850101

IUPAC7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
SMILESCOCCN(C)CCNC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H29N3O4/c1-17(11-12-21-2)10-9-16-14(20)15-8-6-4-3-5-7-13(18)19/h3-12H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyLNDJRHQZBGVDCP-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.90
Rot. Bonds13

About 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid

7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid (PubChem CID 62850101) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
PubChem CID62850101
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Name7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
SMILESCOCCN(C)CCNC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H29N3O4/c1-17(11-12-21-2)10-9-16-14(20)15-8-6-4-3-5-7-13(18)19/h3-12H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyLNDJRHQZBGVDCP-UHFFFAOYSA-N
XLogP0.90
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 129046478
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
CID 62848521
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]acetate
CID 62851170
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
6-(3-methoxypropylcarbamothioylamino)hexanoic acid
CID 4174298
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
6-(cyanomethylcarbamoylamino)hexanoic acid
CID 108864686

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid?
The IUPAC name of 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid (CID 62850101) is 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid.
What is the SMILES notation for 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid?
The canonical SMILES for 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid is COCCN(C)CCNC(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid?
The InChIKey is LNDJRHQZBGVDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-17(11-12-21-2)10-9-16-14(20)15-8-6-4-3-5-7-13(18)19/h3-12H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid?
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid has a molecular weight of 303.40 g/mol, XLogP of 0.90, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid is sourced from PubChem (CID 62850101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).