ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride

C8H17ClN2O5 — CID 156620479

IUPACethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
SMILESCCOC(=O)C(CO)NC(=O)C(N)CO.Cl
InChIInChI=1S/C8H16N2O5.ClH/c1-2-15-8(14)6(4-12)10-7(13)5(9)3-11;/h5-6,11-12H,2-4,9H2,1H3,(H,10,13);1H
InChIKeyUBQHXTQPQCQDOV-UHFFFAOYSA-N
MW256.69 g/mol
LogP-2.23
Rot. Bonds6

About ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride

ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride (PubChem CID 156620479) has the molecular formula C8H17ClN2O5 and a molecular weight of 256.69 g/mol. Its IUPAC name is ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
PubChem CID156620479
Molecular FormulaC8H17ClN2O5
Molecular Weight256.69 g/mol
Exact Mass256.08
IUPAC Nameethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
SMILESCCOC(=O)C(CO)NC(=O)C(N)CO.Cl
InChIInChI=1S/C8H16N2O5.ClH/c1-2-15-8(14)6(4-12)10-7(13)5(9)3-11;/h5-6,11-12H,2-4,9H2,1H3,(H,10,13);1H
InChIKeyUBQHXTQPQCQDOV-UHFFFAOYSA-N
XLogP-2.23
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoate
CID 59016112
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
CID 138527125
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate
CID 72570963
2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
CID 87554672
ethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxypropanoate
CID 59740172
ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 58448718
diethyl (2S)-2-[[(3S)-3-amino-4-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoyl]amino]butanedioate
CID 101451173
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
CID 104711257
diethyl (2R)-2-[[(2R)-2-amino-5-methoxy-5-oxopentanoyl]amino]pentanedioate
CID 137495952

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride?
The IUPAC name of ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride (CID 156620479) is ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride?
The canonical SMILES for ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride is CCOC(=O)C(CO)NC(=O)C(N)CO.Cl.
What is the InChIKey of ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride?
The InChIKey is UBQHXTQPQCQDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5.ClH/c1-2-15-8(14)6(4-12)10-7(13)5(9)3-11;/h5-6,11-12H,2-4,9H2,1H3,(H,10,13);1H.
What are the key properties of ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride?
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride has a molecular weight of 256.69 g/mol, XLogP of -2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride is sourced from PubChem (CID 156620479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).