(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide

C10H18N2O2 — CID 130754169

IUPAC(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide
SMILESNCCNC(=O)[C@H]1C[C@@H]2C[C@@H]1[C@H](O)C2
InChIInChI=1S/C10H18N2O2/c11-1-2-12-10(14)8-4-6-3-7(8)9(13)5-6/h6-9,13H,1-5,11H2,(H,12,14)/t6-,7-,8-,9+/m0/s1
InChIKeyQSEKCRXADMDEHY-XSPKLOCKSA-N
MW198.27 g/mol
LogP-0.53
Rot. Bonds3

About (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 130754169) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide
PubChem CID130754169
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide
SMILESNCCNC(=O)[C@H]1C[C@@H]2C[C@@H]1[C@H](O)C2
InChIInChI=1S/C10H18N2O2/c11-1-2-12-10(14)8-4-6-3-7(8)9(13)5-6/h6-9,13H,1-5,11H2,(H,12,14)/t6-,7-,8-,9+/m0/s1
InChIKeyQSEKCRXADMDEHY-XSPKLOCKSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide
CID 130992166
(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 12618488
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
CID 79207691
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide
CID 58978831
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide (CID 130754169) is (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide is NCCNC(=O)[C@H]1C[C@@H]2C[C@@H]1[C@H](O)C2.
What is the InChIKey of (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QSEKCRXADMDEHY-XSPKLOCKSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-1-2-12-10(14)8-4-6-3-7(8)9(13)5-6/h6-9,13H,1-5,11H2,(H,12,14)/t6-,7-,8-,9+/m0/s1.
What are the key properties of (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 130754169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).