potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate

C9H15KN2O4 — CID 131737033

IUPACpotassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CN1CCOCC1)C(=O)[O-].[K+]
InChIInChI=1S/C9H16N2O4.K/c1-7(9(13)14)10-8(12)6-11-2-4-15-5-3-11;/h7H,2-6H2,1H3,(H,10,12)(H,13,14);/q;+1/p-1/t7-;/m0./s1
InChIKeyGVGHAMASAQRMQC-FJXQXJEOSA-M
MW254.33 g/mol
LogP-5.42
Rot. Bonds4

About potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate

potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate (PubChem CID 131737033) has the molecular formula C9H15KN2O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namepotassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
PubChem CID131737033
Molecular FormulaC9H15KN2O4
Molecular Weight254.33 g/mol
Exact Mass254.07
IUPAC Namepotassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CN1CCOCC1)C(=O)[O-].[K+]
InChIInChI=1S/C9H16N2O4.K/c1-7(9(13)14)10-8(12)6-11-2-4-15-5-3-11;/h7H,2-6H2,1H3,(H,10,12)(H,13,14);/q;+1/p-1/t7-;/m0./s1
InChIKeyGVGHAMASAQRMQC-FJXQXJEOSA-M
XLogP-5.42
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-5.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-morpholin-4-ylacetamide
CID 110011691
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]propanamide
CID 123676891
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
N'-methyl-2-morpholin-4-ylacetohydrazide
CID 142817300
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 24840182
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-(2-methyl-4-oxopentan-3-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55541672
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
2-methyl-N'-(2-morpholin-4-ylacetyl)propanediamide
CID 173077949
benzyl (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate;methane;methanol;2-morpholin-4-ylacetic acid;(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
CID 157257286
3-[4-(methoxymethyl)phenyl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 176956106

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate?
The IUPAC name of potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate (CID 131737033) is potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate.
What is the SMILES notation for potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate?
The canonical SMILES for potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate is C[C@H](NC(=O)CN1CCOCC1)C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate?
The InChIKey is GVGHAMASAQRMQC-FJXQXJEOSA-M. The full InChI is InChI=1S/C9H16N2O4.K/c1-7(9(13)14)10-8(12)6-11-2-4-15-5-3-11;/h7H,2-6H2,1H3,(H,10,12)(H,13,14);/q;+1/p-1/t7-;/m0./s1.
What are the key properties of potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate?
potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate has a molecular weight of 254.33 g/mol, XLogP of -5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate is sourced from PubChem (CID 131737033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).