2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid

C13H25N3O4 — CID 104686787

IUPAC2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NCC1CN(C)CCO1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-10(12(17)18)4-3-5-14-13(19)15-8-11-9-16(2)6-7-20-11/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyFDCSKAMVDBMZJV-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.12
Rot. Bonds7

About 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid

2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 104686787) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID104686787
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NCC1CN(C)CCO1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-10(12(17)18)4-3-5-14-13(19)15-8-11-9-16(2)6-7-20-11/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyFDCSKAMVDBMZJV-UHFFFAOYSA-N
XLogP0.12
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 79071157
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 103928142
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
CID 79071967
3-[ethyl-[(4-methylmorpholin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 79070954
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid (CID 104686787) is 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid is CC(CCCNC(=O)NCC1CN(C)CCO1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is FDCSKAMVDBMZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-10(12(17)18)4-3-5-14-13(19)15-8-11-9-16(2)6-7-20-11/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid?
2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 104686787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).