propan-2-yl 2-(2-aminophenoxy)propanoate

C12H17NO3 — CID 82027633

IUPACpropan-2-yl 2-(2-aminophenoxy)propanoate
SMILESCC(C)OC(=O)C(C)Oc1ccccc1N
InChIInChI=1S/C12H17NO3/c1-8(2)15-12(14)9(3)16-11-7-5-4-6-10(11)13/h4-9H,13H2,1-3H3
InChIKeyCCPGKEFCAJMLLC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.99
Rot. Bonds4

About propan-2-yl 2-(2-aminophenoxy)propanoate

propan-2-yl 2-(2-aminophenoxy)propanoate (PubChem CID 82027633) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is propan-2-yl 2-(2-aminophenoxy)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-aminophenoxy)propanoate
PubChem CID82027633
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepropan-2-yl 2-(2-aminophenoxy)propanoate
SMILESCC(C)OC(=O)C(C)Oc1ccccc1N
InChIInChI=1S/C12H17NO3/c1-8(2)15-12(14)9(3)16-11-7-5-4-6-10(11)13/h4-9H,13H2,1-3H3
InChIKeyCCPGKEFCAJMLLC-UHFFFAOYSA-N
XLogP1.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2R)-2-[2-iodyl-3-[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]oxyphenoxy]propanoate
CID 177474755
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 46307410
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-(2-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 56686980
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline
CID 58649295
2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 82027590
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
CID 56931322
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
CID 164909252
2-methylpropyl 2-(2-acetylphenoxy)propanoate
CID 82312033
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-aminophenoxy)propanoate?
The IUPAC name of propan-2-yl 2-(2-aminophenoxy)propanoate (CID 82027633) is propan-2-yl 2-(2-aminophenoxy)propanoate.
What is the SMILES notation for propan-2-yl 2-(2-aminophenoxy)propanoate?
The canonical SMILES for propan-2-yl 2-(2-aminophenoxy)propanoate is CC(C)OC(=O)C(C)Oc1ccccc1N.
What is the InChIKey of propan-2-yl 2-(2-aminophenoxy)propanoate?
The InChIKey is CCPGKEFCAJMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)15-12(14)9(3)16-11-7-5-4-6-10(11)13/h4-9H,13H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-aminophenoxy)propanoate?
propan-2-yl 2-(2-aminophenoxy)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-aminophenoxy)propanoate is sourced from PubChem (CID 82027633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).