(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid

C10H18N2O5 — CID 104877480

IUPAC(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)N1CCOCC1CO)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-8(9(14)15)11-10(16)12-3-4-17-6-7(12)5-13/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t7?,8-/m0/s1
InChIKeyCZQGUYSXWYAIDO-MQWKRIRWSA-N
MW246.26 g/mol
LogP-0.75
Rot. Bonds4

About (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid

(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid (PubChem CID 104877480) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
PubChem CID104877480
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)N1CCOCC1CO)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-8(9(14)15)11-10(16)12-3-4-17-6-7(12)5-13/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t7?,8-/m0/s1
InChIKeyCZQGUYSXWYAIDO-MQWKRIRWSA-N
XLogP-0.75
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
CID 107841289
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid (CID 104877480) is (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid is CC[C@H](NC(=O)N1CCOCC1CO)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is CZQGUYSXWYAIDO-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-8(9(14)15)11-10(16)12-3-4-17-6-7(12)5-13/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 104877480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).