3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid

C15H28N2O3 — CID 82330480

IUPAC3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCN1CCOCC1)C1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-13(15(18)19)12-17(14-4-2-3-5-14)7-6-16-8-10-20-11-9-16/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyFMAUOFDBMSFEJX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.28
Rot. Bonds7

About 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid

3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid (PubChem CID 82330480) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
PubChem CID82330480
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCN1CCOCC1)C1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-13(15(18)19)12-17(14-4-2-3-5-14)7-6-16-8-10-20-11-9-16/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyFMAUOFDBMSFEJX-UHFFFAOYSA-N
XLogP1.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
2-[cyclopropyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 60834823
3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid
CID 65062044
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
N'-cyclohexyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 55242012
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
CID 82326803
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
CID 82320054
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid (CID 82330480) is 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid is CC(CN(CCN1CCOCC1)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid?
The InChIKey is FMAUOFDBMSFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(15(18)19)12-17(14-4-2-3-5-14)7-6-16-8-10-20-11-9-16/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid?
3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).