(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid

C9H17N3O5 — CID 174670355

IUPAC(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid
SMILESN[C@@H](CCN(C(=O)O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H17N3O5/c10-7(8(13)14)1-2-12(9(15)16)11-3-5-17-6-4-11/h7H,1-6,10H2,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyIIVSETDMBVDLCX-ZETCQYMHSA-N
MW247.25 g/mol
LogP-0.98
Rot. Bonds5

About (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid

(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid (PubChem CID 174670355) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid
PubChem CID174670355
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid
SMILESN[C@@H](CCN(C(=O)O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H17N3O5/c10-7(8(13)14)1-2-12(9(15)16)11-3-5-17-6-4-11/h7H,1-6,10H2,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyIIVSETDMBVDLCX-ZETCQYMHSA-N
XLogP-0.98
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[carboxy(piperazin-1-yl)amino]butanoic acid
CID 174670395
2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
CID 67154957
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid
CID 67154681
(2S)-2-amino-3-[carboxy-(4-methylpiperazin-1-yl)amino]propanoic acid
CID 174812533
(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
CID 157029162
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
(4S)-4-amino-5-morpholin-4-ylpentanoic acid
CID 97055085
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid
CID 70945752
2-amino-4-(4-morpholin-4-yl-4-oxobutyl)sulfanylbutanoic acid
CID 54933104
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid (CID 174670355) is (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid is N[C@@H](CCN(C(=O)O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid?
The InChIKey is IIVSETDMBVDLCX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O5/c10-7(8(13)14)1-2-12(9(15)16)11-3-5-17-6-4-11/h7H,1-6,10H2,(H,13,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid?
(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid has a molecular weight of 247.25 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid is sourced from PubChem (CID 174670355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).