2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid

C14H26N2O4 — CID 106110228

IUPAC2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCCN(C(=O)NCC(OC)C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-5-11-6-4-8-16(9-7-11)14(19)15-10-12(20-2)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFWEQJHQHRDHAPW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid

2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid (PubChem CID 106110228) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid
PubChem CID106110228
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCCN(C(=O)NCC(OC)C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-5-11-6-4-8-16(9-7-11)14(19)15-10-12(20-2)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFWEQJHQHRDHAPW-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 106110229
3-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106109942
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106110619
2-methoxy-3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 114144558
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106110671
2-methoxy-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 114144666
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 114144778
3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106110182
2,3-dimethyl-4-oxo-4-(4-propylazepan-1-yl)but-2-enoic acid
CID 77024575

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid (CID 106110228) is 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid is CCCC1CCCN(C(=O)NCC(OC)C(=O)O)CC1.
What is the InChIKey of 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid?
The InChIKey is FWEQJHQHRDHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-11-6-4-8-16(9-7-11)14(19)15-10-12(20-2)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid?
2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(4-propylazepane-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106110228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).