2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride

C12H15ClN2O4 — CID 87630650

IUPAC2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride
SMILESCc1cc(=O)oc2cc(N)ccc12.Cl.NCC(=O)O
InChIInChI=1S/C10H9NO2.C2H5NO2.ClH/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;3-1-2(4)5;/h2-5H,11H2,1H3;1,3H2,(H,4,5);1H
InChIKeyKRLSJAKONBUAQB-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.14
Rot. Bonds1

About 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride

2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride (PubChem CID 87630650) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride.

Molecular Properties

Compound Name2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride
PubChem CID87630650
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride
SMILESCc1cc(=O)oc2cc(N)ccc12.Cl.NCC(=O)O
InChIInChI=1S/C10H9NO2.C2H5NO2.ClH/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;3-1-2(4)5;/h2-5H,11H2,1H3;1,3H2,(H,4,5);1H
InChIKeyKRLSJAKONBUAQB-UHFFFAOYSA-N
XLogP1.14
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid
CID 87290425
7-amino-4-methylchromen-2-one;bis(2-amino-4-methylpentanoic acid)
CID 174593861
7-amino-4-methylchromen-2-one;formyl chloride
CID 175535632
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
(2S)-2-amino-3-(7-amino-2-oxochromen-4-yl)propanoic acid
CID 88589779
7-ethyl-4-methylchromen-2-one
CID 5160585
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid;7-amino-4-methylchromen-2-one
CID 87702884
7-hydroxy-4-methylchromen-2-one;prop-2-enoic acid
CID 87246461
3-(7-amino-4-methyl-2-oxochromen-3-yl)propanoic acid
CID 54232330

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride?
The IUPAC name of 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride (CID 87630650) is 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride.
What is the SMILES notation for 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride?
The canonical SMILES for 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride is Cc1cc(=O)oc2cc(N)ccc12.Cl.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride?
The InChIKey is KRLSJAKONBUAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C2H5NO2.ClH/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;3-1-2(4)5;/h2-5H,11H2,1H3;1,3H2,(H,4,5);1H.
What are the key properties of 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride?
2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride has a molecular weight of 286.72 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride is sourced from PubChem (CID 87630650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).