2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride

C7H15ClN2O3 — CID 175162079

IUPAC2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride
SMILESC=C(C)C(=O)O.CC(N)C(N)=O.Cl
InChIInChI=1S/C4H6O2.C3H8N2O.ClH/c1-3(2)4(5)6;1-2(4)3(5)6;/h1H2,2H3,(H,5,6);2H,4H2,1H3,(H2,5,6);1H
InChIKeyBTVCZSRYOCPDNU-UHFFFAOYSA-N
MW210.66 g/mol
LogP-0.11
Rot. Bonds2

About 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride

2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride (PubChem CID 175162079) has the molecular formula C7H15ClN2O3 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride
PubChem CID175162079
Molecular FormulaC7H15ClN2O3
Molecular Weight210.66 g/mol
Exact Mass210.08
IUPAC Name2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride
SMILESC=C(C)C(=O)O.CC(N)C(N)=O.Cl
InChIInChI=1S/C4H6O2.C3H8N2O.ClH/c1-3(2)4(5)6;1-2(4)3(5)6;/h1H2,2H3,(H,5,6);2H,4H2,1H3,(H2,5,6);1H
InChIKeyBTVCZSRYOCPDNU-UHFFFAOYSA-N
XLogP-0.11
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-aminopropanamide;dihydrochloride
CID 19963402
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CID 174987164
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
2-(dimethylamino)propanamide;2-methylprop-2-enoic acid
CID 175460965
2-aminopropanamide;ethane
CID 156828005
1-aminoethyl(trimethyl)azanium;2-methylprop-2-enoic acid;chloride
CID 88669433
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride
CID 173193272
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
CID 131883821
CID 131883821

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride?
The IUPAC name of 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride (CID 175162079) is 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride.
What is the SMILES notation for 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride?
The canonical SMILES for 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride is C=C(C)C(=O)O.CC(N)C(N)=O.Cl.
What is the InChIKey of 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride?
The InChIKey is BTVCZSRYOCPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H8N2O.ClH/c1-3(2)4(5)6;1-2(4)3(5)6;/h1H2,2H3,(H,5,6);2H,4H2,1H3,(H2,5,6);1H.
What are the key properties of 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride?
2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride is sourced from PubChem (CID 175162079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).