2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate

C8H17NO4 — CID 170854619

IUPAC2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate
SMILESCC(CO)NCCC(=O)OCCO
InChIInChI=1S/C8H17NO4/c1-7(6-11)9-3-2-8(12)13-5-4-10/h7,9-11H,2-6H2,1H3
InChIKeyUBAUTUPDUPTVEU-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.12
Rot. Bonds7

About 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate

2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate (PubChem CID 170854619) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate
PubChem CID170854619
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate
SMILESCC(CO)NCCC(=O)OCCO
InChIInChI=1S/C8H17NO4/c1-7(6-11)9-3-2-8(12)13-5-4-10/h7,9-11H,2-6H2,1H3
InChIKeyUBAUTUPDUPTVEU-UHFFFAOYSA-N
XLogP-1.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

carbamic acid;2-(2-hydroxyethylamino)propan-1-ol
CID 88506214
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
CID 106202501
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246589
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
2-hydroxyethyl 3-aminopropanoate
CID 22321350
methyl 2-[[3-[6-[3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]propanoyloxy]hexoxy]-3-oxopropyl]amino]-3-methylbutanoate
CID 163822357
(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid
CID 146208300
5-[3-[[3-[5-[3-(4-aminobutan-2-ylamino)propanoyloxy]pentoxy]-3-oxopropyl]-(4-hydroxybutyl)amino]propanoyloxy]pentyl 3-(5-aminopentan-2-ylamino)propanoate
CID 153489703

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate (CID 170854619) is 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate is CC(CO)NCCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate?
The InChIKey is UBAUTUPDUPTVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-7(6-11)9-3-2-8(12)13-5-4-10/h7,9-11H,2-6H2,1H3.
What are the key properties of 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate?
2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate has a molecular weight of 191.23 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate is sourced from PubChem (CID 170854619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).