3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride

C8H15ClN2O5 — CID 174331184

IUPAC3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride
SMILESCCOC(=O)N(CCC(=O)O)C(=O)CN.Cl
InChIInChI=1S/C8H14N2O5.ClH/c1-2-15-8(14)10(6(11)5-9)4-3-7(12)13;/h2-5,9H2,1H3,(H,12,13);1H
InChIKeyABTZNUUOGGWOML-UHFFFAOYSA-N
MW254.67 g/mol
LogP-0.17
Rot. Bonds5

About 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride

3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride (PubChem CID 174331184) has the molecular formula C8H15ClN2O5 and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride
PubChem CID174331184
Molecular FormulaC8H15ClN2O5
Molecular Weight254.67 g/mol
Exact Mass254.07
IUPAC Name3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride
SMILESCCOC(=O)N(CCC(=O)O)C(=O)CN.Cl
InChIInChI=1S/C8H14N2O5.ClH/c1-2-15-8(14)10(6(11)5-9)4-3-7(12)13;/h2-5,9H2,1H3,(H,12,13);1H
InChIKeyABTZNUUOGGWOML-UHFFFAOYSA-N
XLogP-0.17
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
3-[(2-aminoacetyl)-(2-bromoethyl)amino]propanoic acid;ethane
CID 169180843
ethoxycarbonyl(ethyl)carbamic acid
CID 54008560
ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
CID 108895300
2-[bis(2-aminoacetyl)amino]acetic acid
CID 23617061
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
ethyl N-ethyl-N-(methylcarbamoyl)carbamate
CID 165094929
ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate
CID 108888443
ethyl N-(2-aminoacetyl)-N-phenylcarbamate
CID 174322881
ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
bis(2-aminoacetic acid);butanoic acid
CID 174823541
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride?
The IUPAC name of 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride (CID 174331184) is 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride is CCOC(=O)N(CCC(=O)O)C(=O)CN.Cl.
What is the InChIKey of 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride?
The InChIKey is ABTZNUUOGGWOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5.ClH/c1-2-15-8(14)10(6(11)5-9)4-3-7(12)13;/h2-5,9H2,1H3,(H,12,13);1H.
What are the key properties of 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride?
3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride has a molecular weight of 254.67 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 174331184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).