2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid

C16H19NO3 — CID 43754305

IUPAC2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
SMILESCOc1ccc2ccccc2c1C(NC(C)C)C(=O)O
InChIInChI=1S/C16H19NO3/c1-10(2)17-15(16(18)19)14-12-7-5-4-6-11(12)8-9-13(14)20-3/h4-10,15,17H,1-3H3,(H,18,19)
InChIKeyPRHCPENPKRSTDB-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.97
Rot. Bonds5

About 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid

2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid (PubChem CID 43754305) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
PubChem CID43754305
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
SMILESCOc1ccc2ccccc2c1C(NC(C)C)C(=O)O
InChIInChI=1S/C16H19NO3/c1-10(2)17-15(16(18)19)14-12-7-5-4-6-11(12)8-9-13(14)20-3/h4-10,15,17H,1-3H3,(H,18,19)
InChIKeyPRHCPENPKRSTDB-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
CID 62541221
2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid
CID 62354053
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
CID 62069963
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
CID 102334236
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid (CID 43754305) is 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid is COc1ccc2ccccc2c1C(NC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid?
The InChIKey is PRHCPENPKRSTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)17-15(16(18)19)14-12-7-5-4-6-11(12)8-9-13(14)20-3/h4-10,15,17H,1-3H3,(H,18,19).
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid?
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid is sourced from PubChem (CID 43754305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).