5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid

C16H21NO3 — CID 103239441

IUPAC5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNC2CCCc3ccccc32)O1
InChIInChI=1S/C16H21NO3/c18-16(19)15-9-8-12(20-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14-15,17H,3,5,7-10H2,(H,18,19)
InChIKeyFLRLCOMBKVQTPD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.29
Rot. Bonds4

About 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid

5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 103239441) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid
PubChem CID103239441
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNC2CCCc3ccccc32)O1
InChIInChI=1S/C16H21NO3/c18-16(19)15-9-8-12(20-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14-15,17H,3,5,7-10H2,(H,18,19)
InChIKeyFLRLCOMBKVQTPD-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
CID 75443019
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 20890238
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 143330144
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid (CID 103239441) is 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CNC2CCCc3ccccc32)O1.
What is the InChIKey of 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is FLRLCOMBKVQTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(19)15-9-8-12(20-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14-15,17H,3,5,7-10H2,(H,18,19).
What are the key properties of 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid?
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103239441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).