4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid

C13H25N3O5 — CID 114400938

IUPAC4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCCN1CCOC(CNC(=O)NCC(C)(O)CC(=O)O)C1
InChIInChI=1S/C13H25N3O5/c1-3-16-4-5-21-10(8-16)7-14-12(19)15-9-13(2,20)6-11(17)18/h10,20H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyFCKWGIUONZHNBQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP-0.77
Rot. Bonds7

About 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid

4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 114400938) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
PubChem CID114400938
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCCN1CCOC(CNC(=O)NCC(C)(O)CC(=O)O)C1
InChIInChI=1S/C13H25N3O5/c1-3-16-4-5-21-10(8-16)7-14-12(19)15-9-13(2,20)6-11(17)18/h10,20H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyFCKWGIUONZHNBQ-UHFFFAOYSA-N
XLogP-0.77
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66000815
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
CID 114400933
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid
CID 79182003
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002437
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid (CID 114400938) is 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid is CCN1CCOC(CNC(=O)NCC(C)(O)CC(=O)O)C1.
What is the InChIKey of 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is FCKWGIUONZHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-3-16-4-5-21-10(8-16)7-14-12(19)15-9-13(2,20)6-11(17)18/h10,20H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid?
4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 303.36 g/mol, XLogP of -0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 114400938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).