3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid

C15H30N2O3 — CID 62852789

IUPAC3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(CC1CN(CC(C)C)CCO1)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-16(9-13(4)15(18)19)10-14-11-17(6-7-20-14)8-12(2)3/h12-14H,5-11H2,1-4H3,(H,18,19)
InChIKeyIXGOSYVTPFHYBE-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.39
Rot. Bonds8

About 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid

3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid (PubChem CID 62852789) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid
PubChem CID62852789
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(CC1CN(CC(C)C)CCO1)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-16(9-13(4)15(18)19)10-14-11-17(6-7-20-14)8-12(2)3/h12-14H,5-11H2,1-4H3,(H,18,19)
InChIKeyIXGOSYVTPFHYBE-UHFFFAOYSA-N
XLogP1.39
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]-2-methylpropanethioamide
CID 79164440
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
CID 112689933
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82327489
1-methoxy-3-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-2-ol
CID 62014967
2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
CID 82328121
2-[methyl-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]acetic acid
CID 119905834
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258676

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid (CID 62852789) is 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid is CCN(CC1CN(CC(C)C)CCO1)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid?
The InChIKey is IXGOSYVTPFHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-16(9-13(4)15(18)19)10-14-11-17(6-7-20-14)8-12(2)3/h12-14H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid?
3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).