4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid

C14H20N2O4 — CID 69172209

IUPAC4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid
SMILESCC(CCOc1cccc2c1C[C@H](N)CO2)NC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(16-14(17)18)5-6-19-12-3-2-4-13-11(12)7-10(15)8-20-13/h2-4,9-10,16H,5-8,15H2,1H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyLNCHOKZRDQWQQW-AXDSSHIGSA-N
MW280.32 g/mol
LogP1.37
Rot. Bonds5

About 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid

4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid (PubChem CID 69172209) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid.

Molecular Properties

Compound Name4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid
PubChem CID69172209
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid
SMILESCC(CCOc1cccc2c1C[C@H](N)CO2)NC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(16-14(17)18)5-6-19-12-3-2-4-13-11(12)7-10(15)8-20-13/h2-4,9-10,16H,5-8,15H2,1H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyLNCHOKZRDQWQQW-AXDSSHIGSA-N
XLogP1.37
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-3-(di-n-propylamino)chroman
CID 3082597
3-Propylamino-5-hydroxychroman
CID 131001
(R)-3-(N-isopropyl-N-n-propylamino)-5-methoxychroman
CID 10563531
5-methoxyspiro[3,4-dihydro-2H-chromene-3,2''-(tetrahydro-1''H-pyrrole)]
CID 15222791
7-methoxy-3,4-dihydro-2H-1-benzopyran-3-amine hydrochloride
CID 3041600
N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide
CID 10040815
(3S)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
CID 10777977
N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide;oxalic acid
CID 44295875
oxalic acid;2-[(propan-2-ylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 44356120
N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
CID 20070490
3,4-Dihydro-7-methoxy-2H-1-benzopyran-3-amine
CID 3041601
N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide
CID 10354050

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid?
The IUPAC name of 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid (CID 69172209) is 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid.
What is the SMILES notation for 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid?
The canonical SMILES for 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid is CC(CCOc1cccc2c1C[C@H](N)CO2)NC(=O)O.
What is the InChIKey of 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid?
The InChIKey is LNCHOKZRDQWQQW-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(16-14(17)18)5-6-19-12-3-2-4-13-11(12)7-10(15)8-20-13/h2-4,9-10,16H,5-8,15H2,1H3,(H,17,18)/t9?,10-/m0/s1.
What are the key properties of 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid?
4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid has a molecular weight of 280.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid is sourced from PubChem (CID 69172209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).