2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid

C12H14ClNO3 — CID 3917542

IUPAC2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
SMILESCOc1ccc(Cl)cc1C(N)(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO3/c1-17-10-5-4-8(13)6-9(10)12(14,11(15)16)7-2-3-7/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyKLVYVFHRQNIVOO-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid

2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid (PubChem CID 3917542) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
PubChem CID3917542
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
SMILESCOc1ccc(Cl)cc1C(N)(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO3/c1-17-10-5-4-8(13)6-9(10)12(14,11(15)16)7-2-3-7/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyKLVYVFHRQNIVOO-UHFFFAOYSA-N
XLogP2.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid (CID 3917542) is 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid is COc1ccc(Cl)cc1C(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid?
The InChIKey is KLVYVFHRQNIVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-17-10-5-4-8(13)6-9(10)12(14,11(15)16)7-2-3-7/h4-7H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid?
2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid has a molecular weight of 255.70 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 3917542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).