2-[formyl(methyl)amino]acetic acid;hydrochloride

C4H8ClNO3 — CID 141101166

IUPAC2-[formyl(methyl)amino]acetic acid;hydrochloride
SMILESCN(C=O)CC(=O)O.Cl
InChIInChI=1S/C4H7NO3.ClH/c1-5(3-6)2-4(7)8;/h3H,2H2,1H3,(H,7,8);1H
InChIKeyRNVWHDBNUZBSHJ-UHFFFAOYSA-N
MW153.56 g/mol
LogP-0.42
Rot. Bonds3

About 2-[formyl(methyl)amino]acetic acid;hydrochloride

2-[formyl(methyl)amino]acetic acid;hydrochloride (PubChem CID 141101166) has the molecular formula C4H8ClNO3 and a molecular weight of 153.56 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[formyl(methyl)amino]acetic acid;hydrochloride
PubChem CID141101166
Molecular FormulaC4H8ClNO3
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC Name2-[formyl(methyl)amino]acetic acid;hydrochloride
SMILESCN(C=O)CC(=O)O.Cl
InChIInChI=1S/C4H7NO3.ClH/c1-5(3-6)2-4(7)8;/h3H,2H2,1H3,(H,7,8);1H
InChIKeyRNVWHDBNUZBSHJ-UHFFFAOYSA-N
XLogP-0.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.56
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
tris(N-ethyl-2-[formyl(methyl)amino]-N-methylacetamide);N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(propan-2-yl)amino]acetamide;2-[formyl(methyl)amino]acetic acid
CID 176672156
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
potassium 2-[formyl(hydroxy)amino]acetic acid
CID 54611881
sodium 2-[formyl(hydroxy)amino]acetic acid
CID 23617820
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185
2-[methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]acetic acid
CID 2333354
N-methyl-N-(2-oxo-4-phenylbutyl)formamide
CID 12608028
(E)-4-[formyl(methyl)amino]-2-methylbut-2-enoic acid
CID 142813747
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[formyl(methyl)amino]acetic acid;hydrochloride (CID 141101166) is 2-[formyl(methyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[formyl(methyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[formyl(methyl)amino]acetic acid;hydrochloride is CN(C=O)CC(=O)O.Cl.
What is the InChIKey of 2-[formyl(methyl)amino]acetic acid;hydrochloride?
The InChIKey is RNVWHDBNUZBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.ClH/c1-5(3-6)2-4(7)8;/h3H,2H2,1H3,(H,7,8);1H.
What are the key properties of 2-[formyl(methyl)amino]acetic acid;hydrochloride?
2-[formyl(methyl)amino]acetic acid;hydrochloride has a molecular weight of 153.56 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 141101166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).