ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride

C10H19ClN2O3 — CID 169257069

IUPACethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)CC1CCCNC1=O.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-2-15-10(14)8(11)6-7-4-3-5-12-9(7)13;/h7-8H,2-6,11H2,1H3,(H,12,13);1H
InChIKeySXUXKXYKMVJXEI-UHFFFAOYSA-N
MW250.73 g/mol
LogP0.21
Rot. Bonds4

About ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride

ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride (PubChem CID 169257069) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
PubChem CID169257069
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Nameethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)CC1CCCNC1=O.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-2-15-10(14)8(11)6-7-4-3-5-12-9(7)13;/h7-8H,2-6,11H2,1H3,(H,12,13);1H
InChIKeySXUXKXYKMVJXEI-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
CID 162479477
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
CID 175458213
(2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
CID 166744926
(2S)-2-amino-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4-methylpentanamide
CID 155375812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride (CID 169257069) is ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride is CCOC(=O)C(N)CC1CCCNC1=O.Cl.
What is the InChIKey of ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride?
The InChIKey is SXUXKXYKMVJXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-2-15-10(14)8(11)6-7-4-3-5-12-9(7)13;/h7-8H,2-6,11H2,1H3,(H,12,13);1H.
What are the key properties of ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride?
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 169257069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).