methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate

C11H12ClN3O2 — CID 58864314

IUPACmethyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C11H12ClN3O2/c1-17-11(16)9(13)4-6-2-7-5-14-15-10(7)8(12)3-6/h2-3,5,9H,4,13H2,1H3,(H,14,15)
InChIKeyBEUQXXJKIQGBQT-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.26
Rot. Bonds3

About methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate

methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate (PubChem CID 58864314) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
PubChem CID58864314
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Namemethyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C11H12ClN3O2/c1-17-11(16)9(13)4-6-2-7-5-14-15-10(7)8(12)3-6/h2-3,5,9H,4,13H2,1H3,(H,14,15)
InChIKeyBEUQXXJKIQGBQT-UHFFFAOYSA-N
XLogP1.26
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate
CID 58864508
(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 155388857
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl (2S)-2-amino-3-(4-amino-3-chloro-5-methylphenyl)propanoate
CID 171238397
methyl (2S)-2-amino-3-(3-chloro-4-hydroxy-5-methylphenyl)propanoate;hydrochloride
CID 69314172
4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-2-chlorobenzoic acid
CID 171238463
3-O-benzyl 1-O-methyl (2R)-2-[(7-methyl-1H-indazol-5-yl)methyl]propanedioate
CID 66603910
methyl (2R)-2-amino-3-(3-amino-4-chlorophenyl)propanoate
CID 171238207
methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
CID 170884317
methyl (2S)-2-amino-3-(3,5-dibromophenyl)propanoate
CID 134210491
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate (CID 58864314) is methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate is COC(=O)C(N)Cc1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate?
The InChIKey is BEUQXXJKIQGBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-17-11(16)9(13)4-6-2-7-5-14-15-10(7)8(12)3-6/h2-3,5,9H,4,13H2,1H3,(H,14,15).
What are the key properties of methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate?
methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate has a molecular weight of 253.69 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate is sourced from PubChem (CID 58864314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).