3-(cycloheptylmethylamino)-2-hydroxypropanamide

C11H22N2O2 — CID 106170462

IUPAC3-(cycloheptylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CCCCCC1
InChIInChI=1S/C11H22N2O2/c12-11(15)10(14)8-13-7-9-5-3-1-2-4-6-9/h9-10,13-14H,1-8H2,(H2,12,15)
InChIKeyVIQVUOMBYHRNCU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds5

About 3-(cycloheptylmethylamino)-2-hydroxypropanamide

3-(cycloheptylmethylamino)-2-hydroxypropanamide (PubChem CID 106170462) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(cycloheptylmethylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(cycloheptylmethylamino)-2-hydroxypropanamide
PubChem CID106170462
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(cycloheptylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CCCCCC1
InChIInChI=1S/C11H22N2O2/c12-11(15)10(14)8-13-7-9-5-3-1-2-4-6-9/h9-10,13-14H,1-8H2,(H2,12,15)
InChIKeyVIQVUOMBYHRNCU-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethylamino)-2-hydroxypropanamide
CID 106171619
2-hydroxy-3-(oxolan-2-ylmethylamino)propanamide
CID 106171048
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
2-(cyclohexylmethylamino)propanamide
CID 43216154
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
(cyclononylmethylamino)methanol
CID 137465268
CID 59070125
CID 59070125
3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
CID 115256149
3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide
CID 118235005

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(cycloheptylmethylamino)-2-hydroxypropanamide (CID 106170462) is 3-(cycloheptylmethylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(cycloheptylmethylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(cycloheptylmethylamino)-2-hydroxypropanamide is NC(=O)C(O)CNCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethylamino)-2-hydroxypropanamide?
The InChIKey is VIQVUOMBYHRNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-11(15)10(14)8-13-7-9-5-3-1-2-4-6-9/h9-10,13-14H,1-8H2,(H2,12,15).
What are the key properties of 3-(cycloheptylmethylamino)-2-hydroxypropanamide?
3-(cycloheptylmethylamino)-2-hydroxypropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106170462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).