2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide

C11H18N2O2 — CID 123831740

IUPAC2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide
SMILESCC1CC=CC=C1CNC(=O)C(N)CO
InChIInChI=1S/C11H18N2O2/c1-8-4-2-3-5-9(8)6-13-11(15)10(12)7-14/h2-3,5,8,10,14H,4,6-7,12H2,1H3,(H,13,15)
InChIKeyVDDZZVWWRGYZBA-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.06
Rot. Bonds4

About 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide

2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide (PubChem CID 123831740) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide
PubChem CID123831740
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide
SMILESCC1CC=CC=C1CNC(=O)C(N)CO
InChIInChI=1S/C11H18N2O2/c1-8-4-2-3-5-9(8)6-13-11(15)10(12)7-14/h2-3,5,8,10,14H,4,6-7,12H2,1H3,(H,13,15)
InChIKeyVDDZZVWWRGYZBA-UHFFFAOYSA-N
XLogP-0.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide (CID 123831740) is 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide is CC1CC=CC=C1CNC(=O)C(N)CO.
What is the InChIKey of 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide?
The InChIKey is VDDZZVWWRGYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-4-2-3-5-9(8)6-13-11(15)10(12)7-14/h2-3,5,8,10,14H,4,6-7,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide?
2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide is sourced from PubChem (CID 123831740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).