(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid

C11H21N3O5 — CID 114007613

IUPAC(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
SMILESCN1CCOC(CNC(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C11H21N3O5/c1-14-4-5-19-8(7-14)6-13-11(18)12-3-2-9(15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8?,9-/m0/s1
InChIKeyWLYNTZYOQJIHBJ-GKAPJAKFSA-N
MW275.30 g/mol
LogP-1.55
Rot. Bonds6

About (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid

(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 114007613) has the molecular formula C11H21N3O5 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID114007613
Molecular FormulaC11H21N3O5
Molecular Weight275.30 g/mol
Exact Mass275.15
IUPAC Name(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
SMILESCN1CCOC(CNC(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C11H21N3O5/c1-14-4-5-19-8(7-14)6-13-11(18)12-3-2-9(15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8?,9-/m0/s1
InChIKeyWLYNTZYOQJIHBJ-GKAPJAKFSA-N
XLogP-1.55
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686787
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
2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
CID 79071967
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 79071157
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid (CID 114007613) is (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid is CN1CCOC(CNC(=O)NCC[C@H](O)C(=O)O)C1.
What is the InChIKey of (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is WLYNTZYOQJIHBJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-14-4-5-19-8(7-14)6-13-11(18)12-3-2-9(15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid?
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 275.30 g/mol, XLogP of -1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 114007613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).