(2S)-2-amino-3-hydroxypropanoic acid;morpholine

C7H16N2O4 — CID 174482555

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;morpholine
SMILESC1COCCN1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C4H9NO.C3H7NO3/c1-3-6-4-2-5-1;4-2(1-5)3(6)7/h5H,1-4H2;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyWYRFAGKBBNHSSI-WNQIDUERSA-N
MW192.21 g/mol
LogP-2.00
Rot. Bonds2

About (2S)-2-amino-3-hydroxypropanoic acid;morpholine

(2S)-2-amino-3-hydroxypropanoic acid;morpholine (PubChem CID 174482555) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;morpholine.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;morpholine
PubChem CID174482555
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;morpholine
SMILESC1COCCN1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C4H9NO.C3H7NO3/c1-3-6-4-2-5-1;4-2(1-5)3(6)7/h5H,1-4H2;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyWYRFAGKBBNHSSI-WNQIDUERSA-N
XLogP-2.00
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;morpholine
CID 68520693
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(2S)-2-amino-3-hydroxypropanoic acid;cyclopenta-1,3-diene
CID 67815076

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;morpholine?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;morpholine (CID 174482555) is (2S)-2-amino-3-hydroxypropanoic acid;morpholine.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;morpholine?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;morpholine is C1COCCN1.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;morpholine?
The InChIKey is WYRFAGKBBNHSSI-WNQIDUERSA-N. The full InChI is InChI=1S/C4H9NO.C3H7NO3/c1-3-6-4-2-5-1;4-2(1-5)3(6)7/h5H,1-4H2;2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;morpholine?
(2S)-2-amino-3-hydroxypropanoic acid;morpholine has a molecular weight of 192.21 g/mol, XLogP of -2.00, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;morpholine is sourced from PubChem (CID 174482555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).