1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid

C15H19NO3 — CID 116944092

IUPAC1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(c1ccc2c(c1)CCCO2)C1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO3/c16-13(15(14(17)18)6-2-7-15)11-4-5-12-10(9-11)3-1-8-19-12/h4-5,9,13H,1-3,6-8,16H2,(H,17,18)
InChIKeySIDPAWMVENRGHT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.27
Rot. Bonds3

About 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid

1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116944092) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116944092
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(c1ccc2c(c1)CCCO2)C1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO3/c16-13(15(14(17)18)6-2-7-15)11-4-5-12-10(9-11)3-1-8-19-12/h4-5,9,13H,1-3,6-8,16H2,(H,17,18)
InChIKeySIDPAWMVENRGHT-UHFFFAOYSA-N
XLogP2.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile
CID 116942980
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
2-amino-2-(3,4-dihydro-2H-chromen-6-yl)-N'-methylacetohydrazide
CID 116849405
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
CID 62932980
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclopropan-1-amine
CID 116961239
2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
CID 82485168
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106

Frequently Asked Questions

What is the IUPAC name of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid (CID 116944092) is 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid is NC(c1ccc2c(c1)CCCO2)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is SIDPAWMVENRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c16-13(15(14(17)18)6-2-7-15)11-4-5-12-10(9-11)3-1-8-19-12/h4-5,9,13H,1-3,6-8,16H2,(H,17,18).
What are the key properties of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid?
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116944092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).