2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid

C11H19NO3 — CID 70411923

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid
SMILESO=C(O)CNC1CCOC2CCCCC12
InChIInChI=1S/C11H19NO3/c13-11(14)7-12-9-5-6-15-10-4-2-1-3-8(9)10/h8-10,12H,1-7H2,(H,13,14)
InChIKeySYJHSBFOXJFXKH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds3

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid (PubChem CID 70411923) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid
PubChem CID70411923
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid
SMILESO=C(O)CNC1CCOC2CCCCC12
InChIInChI=1S/C11H19NO3/c13-11(14)7-12-9-5-6-15-10-4-2-1-3-8(9)10/h8-10,12H,1-7H2,(H,13,14)
InChIKeySYJHSBFOXJFXKH-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid (CID 70411923) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid is O=C(O)CNC1CCOC2CCCCC12.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid?
The InChIKey is SYJHSBFOXJFXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)7-12-9-5-6-15-10-4-2-1-3-8(9)10/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ylamino)acetic acid is sourced from PubChem (CID 70411923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).