2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid

C15H30N2O3 — CID 43619459

IUPAC2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid
SMILESCCCC(C)(NCC1CN(CC(C)C)CCO1)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-6-15(4,14(18)19)16-9-13-11-17(7-8-20-13)10-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyYYYYPNANCZQHSB-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.58
Rot. Bonds8

About 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid

2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid (PubChem CID 43619459) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid
PubChem CID43619459
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid
SMILESCCCC(C)(NCC1CN(CC(C)C)CCO1)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-6-15(4,14(18)19)16-9-13-11-17(7-8-20-13)10-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyYYYYPNANCZQHSB-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-4-Methyl-2-(tetrahydro-pyran-4-ylamino)-pentanoic acid
CID 15458709
4-Methyl-2-(oxan-4-ylamino)pentanoic acid
CID 18418725
4-Methyl-2-[(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 23297646
cyclopentyl (2S)-4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 70302796
Cyclopentyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 77816034
6-Methyl-3-(2-methylpropyl)morpholin-2-one
CID 123163568
3-Butan-2-yl-6-methylmorpholin-2-one
CID 123432381
4-Methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid
CID 130293812
(2R,3S)-2-propan-2-ylmorpholine-3-carboxylic acid
CID 141629319
2-Propan-2-ylmorpholine-3-carboxylic acid
CID 142725546
(2S)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4-methylpentanoic acid
CID 945507
(2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4-methylpentanoic acid
CID 945508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid (CID 43619459) is 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid is CCCC(C)(NCC1CN(CC(C)C)CCO1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid?
The InChIKey is YYYYPNANCZQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-6-15(4,14(18)19)16-9-13-11-17(7-8-20-13)10-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid?
2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid is sourced from PubChem (CID 43619459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).