2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid

C13H25N3O4 — CID 79071785

IUPAC2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CN(C)CCO1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-5-13(2,11(17)18)15-12(19)14-8-10-9-16(3)6-7-20-10/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyFYAFVOOJQCALFO-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.26
Rot. Bonds6

About 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid

2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 79071785) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID79071785
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CN(C)CCO1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-5-13(2,11(17)18)15-12(19)14-8-10-9-16(3)6-7-20-10/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyFYAFVOOJQCALFO-UHFFFAOYSA-N
XLogP0.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 103928142
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid
CID 79182003
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
CID 63244361
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
CID 79182699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid (CID 79071785) is 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid is CCCC(C)(NC(=O)NCC1CN(C)CCO1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is FYAFVOOJQCALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-5-13(2,11(17)18)15-12(19)14-8-10-9-16(3)6-7-20-10/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 79071785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).