[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate

C7H15NO5 — CID 87220172

IUPAC[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate
SMILESCC(O)C(=O)ON(C(C)O)C(C)O
InChIInChI=1S/C7H15NO5/c1-4(9)7(12)13-8(5(2)10)6(3)11/h4-6,9-11H,1-3H3
InChIKeyBPXNRWTUWVCPAQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP-1.20
Rot. Bonds4

About [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate

[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate (PubChem CID 87220172) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate.

Molecular Properties

Compound Name[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate
PubChem CID87220172
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate
SMILESCC(O)C(=O)ON(C(C)O)C(C)O
InChIInChI=1S/C7H15NO5/c1-4(9)7(12)13-8(5(2)10)6(3)11/h4-6,9-11H,1-3H3
InChIKeyBPXNRWTUWVCPAQ-UHFFFAOYSA-N
XLogP-1.20
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[bis(1-hydroxyethyl)amino] acetate
CID 57208315
[bis(1-hydroxyethyl)amino] hydrogen carbonate
CID 57058437
bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate
CID 171569481
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
trimethylplumbyl 2-hydroxypropanoate
CID 16683262
[bis(1-hydroxyethyl)amino] dodecanoate
CID 57192551
calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate
CID 174880543

Frequently Asked Questions

What is the IUPAC name of [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate?
The IUPAC name of [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate (CID 87220172) is [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate.
What is the SMILES notation for [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate?
The canonical SMILES for [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate is CC(O)C(=O)ON(C(C)O)C(C)O.
What is the InChIKey of [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate?
The InChIKey is BPXNRWTUWVCPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c1-4(9)7(12)13-8(5(2)10)6(3)11/h4-6,9-11H,1-3H3.
What are the key properties of [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate?
[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate has a molecular weight of 193.20 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(1-hydroxyethyl)amino] 2-hydroxypropanoate is sourced from PubChem (CID 87220172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).