3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid

C14H17NO3 — CID 115248273

IUPAC3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(CNc2ccc3c(c2)CCC3)COC1
InChIInChI=1S/C14H17NO3/c16-13(17)14(8-18-9-14)7-15-12-5-4-10-2-1-3-11(10)6-12/h4-6,15H,1-3,7-9H2,(H,16,17)
InChIKeySIHYXPJWCPOADN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds4

About 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid

3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid (PubChem CID 115248273) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid
PubChem CID115248273
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(CNc2ccc3c(c2)CCC3)COC1
InChIInChI=1S/C14H17NO3/c16-13(17)14(8-18-9-14)7-15-12-5-4-10-2-1-3-11(10)6-12/h4-6,15H,1-3,7-9H2,(H,16,17)
InChIKeySIHYXPJWCPOADN-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
CID 115185496
3-[(1,3-benzoxazol-6-ylamino)methyl]oxetane-3-carboxylic acid
CID 115248308
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084
1-(2,3-dihydro-1H-inden-5-yl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936269
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246507
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid (CID 115248273) is 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid is O=C(O)C1(CNc2ccc3c(c2)CCC3)COC1.
What is the InChIKey of 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid?
The InChIKey is SIHYXPJWCPOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(17)14(8-18-9-14)7-15-12-5-4-10-2-1-3-11(10)6-12/h4-6,15H,1-3,7-9H2,(H,16,17).
What are the key properties of 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid?
3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 115248273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).