(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid

C13H25N3O4 — CID 103928142

IUPAC(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
SMILESCN1CCOC(CNC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C13H25N3O4/c1-13(2,3)10(11(17)18)15-12(19)14-7-9-8-16(4)5-6-20-9/h9-10H,5-8H2,1-4H3,(H,17,18)(H2,14,15,19)/t9?,10-/m0/s1
InChIKeyOSTMWDRNHWWDAT-AXDSSHIGSA-N
MW287.36 g/mol
LogP0.12
Rot. Bonds4

About (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid

(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 103928142) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID103928142
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
SMILESCN1CCOC(CNC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1
InChIInChI=1S/C13H25N3O4/c1-13(2,3)10(11(17)18)15-12(19)14-7-9-8-16(4)5-6-20-9/h9-10H,5-8H2,1-4H3,(H,17,18)(H2,14,15,19)/t9?,10-/m0/s1
InChIKeyOSTMWDRNHWWDAT-AXDSSHIGSA-N
XLogP0.12
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
CID 79071967
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
4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 79071157
(2R)-2-(1,4-dioxan-2-ylmethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927678
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686787
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid (CID 103928142) is (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid is CN1CCOC(CNC(=O)N[C@@H](C(=O)O)C(C)(C)C)C1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is OSTMWDRNHWWDAT-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-13(2,3)10(11(17)18)15-12(19)14-7-9-8-16(4)5-6-20-9/h9-10H,5-8H2,1-4H3,(H,17,18)(H2,14,15,19)/t9?,10-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 103928142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).