2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid

C9H16N2O4 — CID 66433437

IUPAC2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
SMILESC[C@H](N)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-6(10)9(14)11-2-3-15-7(5-11)4-8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)/t6-,7?/m0/s1
InChIKeyZOESRMKSLYJVFC-PKPIPKONSA-N
MW216.24 g/mol
LogP-0.96
Rot. Bonds3

About 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid

2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid (PubChem CID 66433437) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
PubChem CID66433437
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
SMILESC[C@H](N)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-6(10)9(14)11-2-3-15-7(5-11)4-8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)/t6-,7?/m0/s1
InChIKeyZOESRMKSLYJVFC-PKPIPKONSA-N
XLogP-0.96
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
CID 130485488
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid
CID 119248962
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248775
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid (CID 66433437) is 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid is C[C@H](N)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid?
The InChIKey is ZOESRMKSLYJVFC-PKPIPKONSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(10)9(14)11-2-3-15-7(5-11)4-8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)/t6-,7?/m0/s1.
What are the key properties of 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid?
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).